SCHEMBL16337387

SCHEMBL16337387

Cn1cc(Nc2ncc(Cl)c(NCC3CCCNC3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.56
JAK2 O60674 5/20 0.56
CDK19 Q9BWU1 1/20 0.53
ALK Q9UM73 1/20 0.53
AURKB Q96GD4 5/20 0.51
SYK P43405 3/20 0.51
KDR P35968 3/20 0.50
AURKA O14965 4/20 0.49
IRAK1 P51617 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
CHEK1 O14757 3/20 0.48
JAK3 P52333 1/20 0.48
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15059571 1.00 JAK1 (0.56) JAK1JAK2CDK19ALKAURKB
SCHEMBL16336889 1.00 JAK1 (0.56) JAK1JAK2CDK19ALKAURKB
SCHEMBL15060022 0.94 JAK1 (0.58) JAK1JAK2CDK19ALKAURKB
Hydrochloric Acid SCHEMBL15059314 0.93 JAK1 (0.57) JAK1JAK2CDK19ALKAURKB
SCHEMBL15059873 0.88 CDK19 (0.58) JAK1JAK2CDK19ALKAURKB
Hydrochloric Acid SCHEMBL15059309 0.83 JAK1 (0.55) JAK1JAK2CDK19ALKAURKB
Hydrochloric Acid SCHEMBL15059491 0.83 JAK1 (0.55) JAK1JAK2CDK19ALKAURKB
SCHEMBL16513453 0.83 JAK1 (0.71) JAK1JAK2CDK19ALKAURKB
SCHEMBL16336520 0.83 JAK1 (0.52) JAK1JAK2AURKBSYKKDR
SCHEMBL15059525 0.82 JAK2 (0.55) JAK1JAK2AURKBKDRJAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2024-04-23 US disclosed
EP-3421462-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2023-04-05 EP disclosed
US-20210300899-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2021-09-30 US disclosed
US-11014909-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2021-05-25 US disclosed
US-20200283407-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-09-10 US disclosed
US-10696658-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2020-06-30 US disclosed
US-10421744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2019-09-24 US disclosed
EP-3013813-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-04-03 EP disclosed
US-20190002439-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2019-01-03 US disclosed
EP-3421462-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2019-01-02 EP disclosed
US-10093655-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-10-09 US disclosed
US-20180037571-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-02-08 US disclosed
US-9822097-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-11-21 US disclosed
US-20170057947-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-03-02 US disclosed
US-9527831-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2016-12-27 US disclosed
US-9139561-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2015-09-22 US disclosed
US-20150175573-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-06-25 US disclosed
US-20150005313-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2015-01-01 US disclosed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, HTR1D JAK1 1585/4885JAK2 1030/4885CDK19 389/4885
US-10421744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD1, SNCA, DRD2 JAK1 2291/4885JAK2 3695/4885CDK19 2380/4885
US-20210300899-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, HTR1D JAK1 1585/4885JAK2 1030/4885CDK19 389/4885
US-20190002439-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD1, SNCA, DRD2 JAK1 2291/4885JAK2 3695/4885CDK19 2380/4885
US-10093655-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD1, SNCA, DRD2 JAK1 2291/4885JAK2 3695/4885CDK19 2380/4885
US-20150005313-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS SNCA, DRD1, DRD2 JAK1 2325/4885JAK2 4079/4885CDK19 2085/4885
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885CDK19 98/4885
US-20150175573-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, HTR1D JAK1 1585/4885JAK2 1030/4885CDK19 389/4885
US-20200283407-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, SNCA JAK1 2604/4885JAK2 3578/4885CDK19 2672/4885
US-10696658-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD1, SNCA, DRD2 JAK1 2291/4885JAK2 3695/4885CDK19 2380/4885
US-11014909-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, SNCA JAK1 2604/4885JAK2 3578/4885CDK19 2672/4885
US-20180037571-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD1, SNCA, DRD2 JAK1 2291/4885JAK2 3695/4885CDK19 2380/4885
US-20170057947-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, HTR1D, DRD1 JAK1 1548/4885JAK2 752/4885CDK19 422/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.