SCHEMBL7920977

SCHEMBL7920977

Cc1cc2c(C)n[nH]c2cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
PIM1 P11309 9/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
NFATC1 O95644 1/20 0.35
DYRK1A Q13627 1/20 0.35
UHRF1 Q96T88 1/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL7920974 0.83 ADORA2A (0.47) ADORA2AADORA2BCYP1A2TSHRMAPK1
SCHEMBL24699338 0.82 GSK3A (0.53) GSK3AGSK3BDYRK1AUHRF1
SCHEMBL12479452 0.80 UHRF1 (0.36) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL12481324 0.80 PIM1 (0.33) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL13906113 0.80 ADORA2A (0.44) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL24121819 0.80 ADORA2A (0.44) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL31317680 0.80 UHRF1 (0.36) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL19965414 0.80 ADORA2A (0.44) ADORA2AADORA2BPIM1CYP1A2GSK3A
SCHEMBL19780544 0.77 GABRP (0.46) ADORA2AADORA2BPIM1
SCHEMBL19780167 0.77 GABRP (0.49) ADORA2AADORA2BPIM1DYRK1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 WO disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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 (3 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 ADORA2A 3212/4885ADORA2B 4289/4885PIM1 817/4885
US-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ADORA2A 3691/4885ADORA2B 3995/4885PIM1 1965/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 ADORA2A 3212/4885ADORA2B 4289/4885PIM1 817/4885

“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.