SCHEMBL29831778

SCHEMBL29831778

COc1ccc2cccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
PDGFRB P09619 2/20 0.59
PDGFRA P16234 2/20 0.59
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 4/20 0.58
EGFR P00533 1/20 0.56
PDE10A Q9Y233 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 1/20 0.55
P2RY14 Q15391 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
NR4A2 P43354 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL619653 1.00 RAB9A (0.59) RAB9ANPC1PDGFRBPDGFRACYP3A4
Benzene SCHEMBL27716393 0.98 CYP3A4 (0.61) RAB9ANPC1PDGFRBPDGFRACYP3A4
SCHEMBL29096117 0.98 PDGFRB (0.62) RAB9ANPC1PDGFRBPDGFRACYP3A4
Chlorobenzene SCHEMBL2422422 0.89 CYP3A4 (0.56) RAB9ANPC1PDGFRBPDGFRACYP3A4
Butylamine SCHEMBL8656513 0.85 SYK (0.49) RAB9ANPC1PDGFRBPDGFRACYP3A4
SCHEMBL219324 0.85 PDGFRB (0.59) RAB9ANPC1PDGFRBPDGFRACYP3A4
SCHEMBL17394558 0.84 CYP3A4 (0.62) RAB9ANPC1PDGFRBPDGFRACYP3A4
SCHEMBL30496772 0.84 RAB9A (0.51) RAB9ANPC1PDGFRBPDGFRACYP3A4
Quinoline SCHEMBL10706605 0.84 ALDH1A1 (0.59) RAB9ANPC1PDGFRBPDGFRACYP3A4
Hydrochloric Acid SCHEMBL29522997 0.83 PDGFRB (0.58) RAB9ANPC1PDGFRBPDGFRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524594-B1 NON-SOLVATED CRYSTAL, PREPARATION METHOD AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2024-11-06 EP claimed
WO-2022247844-A1 PHARMACEUTICAL COMPOSITION CONTAINING PROTEIN KINASE INHIBITOR AND MEDICAL USE THEREOF 深圳微芯生物科技股份有限公司 2022-12-01 WO claimed
US-20240382474-A1 ENPP1 MODULATORS AND USES THEREOF VIR BIOTECHNOLOGY INC (US) 2024-11-21 US disclosed
WO-2024215817-A1 NOVEL 5-CYCLOPROYLQUINOLINE DERIVATIVES AS PLPRO INHIBITORS PFIZER INC. (US) 2024-10-17 WO disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2024-02-08 US disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 CN disclosed
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-01-03 US disclosed
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 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-20240382474-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 RAB9A 317/4885NPC1 2317/4885PDGFRB 2295/4885
US-11542259-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, MAP3K6, MAP3K1 RAB9A 1262/4885NPC1 1305/4885PDGFRB 327/4885
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof ENPP1, ENPP3, PDE7A RAB9A 611/4885NPC1 1948/4885PDGFRB 3543/4885
US-20240043414-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 RAB9A 1262/4885NPC1 1305/4885PDGFRB 327/4885

“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.