SCHEMBL6488477

SCHEMBL6488477

O=C(c1c(-c2cc[nH]n2)[nH]c2ccccc12)N1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTR2C P28335 2/20 0.39
ATM Q13315 1/20 0.38
AKR1C3 P42330 1/20 0.38
GRM5 P41594 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAPT P10636 1/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL5752935 0.77 HRH4 (0.41) ALDH1A1KDM4EGLAPKMGRIN2D
SCHEMBL6480501 0.70 KDM4E (0.53) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8708978 0.70 GFER (0.67) ALDH1A1KDM4ENPC1RAB9AATM
SCHEMBL14125524 0.69 MCL1 (0.43) ALDH1A1KDM4EGLAPKMHTR2C
SCHEMBL5754341 0.69 HSP90AA1 (0.41) NPC1RAB9AGRM5GRIN2DGRIN3B
SCHEMBL5753668 0.69 KDR (0.45) NPC1RAB9AAKR1C3GRM5
SCHEMBL6488475 0.65 CA12 (0.35) ALDH1A1KDM4ENPC1RAB9AHTR2C
SCHEMBL1595592 0.62 MAPK10 (0.77) GRM5
SCHEMBL1595590 0.62 MAPK10 (0.77) GRM5
SCHEMBL6491091 0.62 HRH4 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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 (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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 ALDH1A1 2469/4885KDM4E 765/4885GLA 3554/4885

“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.