SCHEMBL21245786

SCHEMBL21245786

Nc1ccc(N2CCN3CCCC3C2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAP4K4 O95819 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
GAA P10253 1/20 0.40
PIK3CD O00329 1/20 0.40
CSF1R P07333 1/20 0.40
CDK4 P11802 1/20 0.40
CDK6 Q00534 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29508926 1.00 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL21267453 1.00 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL22860576 0.96 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL29508837 0.96 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL4288197 0.90 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL14484056 0.86 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL22860586 0.83 HTR6 (0.43) KMT2AMEN1PIK3CDCSF1RCDK4
SCHEMBL10036371 0.83 MAPT (0.55) ALDH1A1LMNAMAPTGFERMAP4K4
SCHEMBL22852518 0.82 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL3572425 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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 (4 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 ALDH1A1 2534/4885LMNA 2478/4885MAPT 3390/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ALDH1A1 2992/4885LMNA 3004/4885MAPT 3156/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ALDH1A1 2992/4885LMNA 3004/4885MAPT 3156/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ALDH1A1 2992/4885LMNA 3004/4885MAPT 3156/4885

“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.