SCHEMBL1908345

SCHEMBL1908345

Cc1c(I)cnn1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
CYP17A1 P05093 2/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
GRM7 Q14831 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
SCHEMBL1906271 0.91 OXTR (0.40) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL12922843 0.82 CYP17A1 (0.49) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL12923215 0.77 GFER (0.48) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL122538 0.76 HPGD (0.47) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL122430 0.76 HPGD (0.44) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL31596129 0.76 HPGD (0.44) RAB9AHPGDCYP17A1CYP1A2NPC1
SCHEMBL3517338 0.74 NPC1 (0.55) RAB9AHPGDNPC1TP53IRAK4
SCHEMBL1574919 0.74 MAPK1 (0.63) RAB9AHPGDNPC1TP53SMN1; SMN2
SCHEMBL1905374 0.74 MAPK1 (0.54) RAB9AHPGDNPC1SMN1; SMN2MAPT
SCHEMBL9027128 0.72 CYP17A1 (0.47) RAB9AHPGDCYP17A1CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 RAB9A 2116/4885HPGD 2353/4885CYP17A1 4011/4885

“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.