SCHEMBL3665962

SCHEMBL3665962

COCCOc1cccnc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
LTA4H P09960 1/20 0.54
MAPK14 Q16539 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 2/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KDM1A O60341 1/20 0.41
IKBKB O14920 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDPK1 O15530 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 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
SCHEMBL1921438 0.83 LTA4H (0.56) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL9686533 0.83 NPC1 (0.57) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL27674368 0.82 NCF1 (0.54) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL7222828 0.81 CYP1A2 (0.59) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL9847559 0.81 CYP11B1 (0.45) RAB9ANPC1SMN1; SMN2MAPTKDM1A
SCHEMBL10644141 0.80 CYP1A2 (0.53) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL7843486 0.79 LTA4H (0.56) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL11084194 0.79 LTA4H (0.56) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL10644419 0.79 MCHR1 (0.54) RAB9ANPC1LTA4HMAPK14SMN1; SMN2
SCHEMBL21730396 0.79 KDM1A (0.40) RAB9ANPC1SMN1; SMN2MAPTKDM1A

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
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
US-5459132-A Inhibition of cell proliferation, analgesic, hypotensive LABORATOIRES UPSA (FR) 1995-10-17 US disclosed
WO-1995018817-A1 NOVEL ADENOSINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1995-07-13 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 (1 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB RAB9A 1046/4885NPC1 1650/4885LTA4H 2565/4885

“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.