SCHEMBL7863445

SCHEMBL7863445

CCc1cn2c(C(=O)O)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
MAPT P10636 2/20 0.37
TGFBR1 P36897 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3039669 0.84 RAB9A (0.42) RAB9ATP53GAAKDM4EGLA
SCHEMBL3021189 0.83 RAB9A (0.41) RAB9ATP53GAAKDM4EGLA
SCHEMBL3040124 0.82 RAB9A (0.41) RAB9ATP53GAAKDM4EGLA
SCHEMBL21816403 0.79 TGFBR1 (0.44) RAB9ATP53GAAKDM4EGLA
SCHEMBL3021542 0.79 RAB9A (0.39) RAB9ATP53GAAKDM4EGLA
SCHEMBL9569967 0.77 AGTR1 (0.45) RAB9ATP53
SCHEMBL9753622 0.77 PTGS1 (0.53) RAB9ATP53GAAKDM4EGLA
SCHEMBL13080243 0.77 MAPT (0.38) RAB9ATP53GAAKDM4EMAPT
SCHEMBL8350294 0.75 MAPT (0.56) RAB9ATP53GAAKDM4EMAPT
SCHEMBL14888268 0.74 RAB9A (0.36) RAB9ATP53KDM4EGLAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132470-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-04-25 US disclosed
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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 (2 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN RAB9A 3454/4885TP53 4644/4885GAA 3830/4885
US-20240132470-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 RAB9A 3094/4885TP53 3030/4885GAA 433/4885

“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.