SCHEMBL12832003

SCHEMBL12832003

CCc1cnc2cc(C)ccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
PKM P14618 2/20 0.49
DNMT1 P26358 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
MAPT P10636 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
FLT3 P36888 3/20 0.38
CYP11B1 P15538 1/20 0.37

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
SCHEMBL12832008 0.86 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9117321 0.84 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL859189 0.84 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14255060 0.84 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9234953 0.81 DNMT1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14255059 0.81 POLB (0.51) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL21849239 0.81 CYP11B1 (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14748149 0.81 KDR (0.43) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1426385 0.81 GAA (0.34) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14290281 0.79 KDM4E (0.47) KDM4EALDH1A1GAAHPGDGLA

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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 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 (5 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 KDM4E 2805/4885ALDH1A1 409/4885GAA 2461/4885
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 KDM4E 3589/4885ALDH1A1 4044/4885GAA 4015/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 KDM4E 3143/4885ALDH1A1 4740/4885GAA 905/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 KDM4E 3754/4885ALDH1A1 3749/4885GAA 3731/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 KDM4E 3143/4885ALDH1A1 4740/4885GAA 905/4885

“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.