SCHEMBL3603570

SCHEMBL3603570

Cc1cc(Cc2ccc(Cl)cc2)nnc1N1CCN(c2ccncc2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADRB2 P07550 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PRKCI P41743 1/20 0.35
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3614339 0.90 SMO (0.40) SMOPARP1MAPTCA12CA1
SCHEMBL3608120 0.90 PARP1 (0.40) SMOPARP1KDM4EHPGDALDH1A1
SCHEMBL3601438 0.81 SMO (0.43) SMOPARP1MAPTCA12CA1
SCHEMBL13445210 0.78 SMO (0.66) SMO
SCHEMBL3601282 0.73 SMO (0.55) SMO
SCHEMBL3644307 0.71 SMO (0.56) SMOPARP1
SCHEMBL3604679 0.71 SMO (0.43) SMOPARP1CA12CA1CA2
SCHEMBL4442185 0.70 SMO (0.43) SMOPARP1
SCHEMBL3606297 0.68 TP53 (0.56) SMOKDM4EHPGDMAPTALDH1A1
SCHEMBL13445171 0.67 SMO (0.66) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP claimed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US claimed

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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SMO 5/4885PARP1 2721/4885LMNA 4095/4885

“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.