SCHEMBL10072206

SCHEMBL10072206

C=Cc1cccc(-c2nn(CC)nc2-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ TNNT2 P45379 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ TNNC1 P63316 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL8013007 0.84 TDP1 (0.42) PTGS2TDP1TP53ALDH1A1TSHR
SCHEMBL10045009 0.84 PTGS2 (0.45) PTGS2TDP1TP53ALDH1A1TSHR
SCHEMBL17280145 0.84 CASP1 (0.42) PTGS2TDP1ALDH1A1TSHRMEN1
SCHEMBL13243234 0.80 KMT2A (0.47) PTGS2TDP1TP53ALDH1A1TSHR
SCHEMBL13510494 0.73 ADORA2A (0.50) TDP1TP53ALDH1A1MEN1KMT2A
SCHEMBL714226 0.72 ALDH1A1 (0.59) PTGS2TDP1TP53ALDH1A1TSHR
SCHEMBL30618844 0.72 ALDH1A1 (0.59) PTGS2TDP1TP53ALDH1A1TSHR
SCHEMBL13510677 0.72 KDM4E (0.43) TDP1TP53ALDH1A1MEN1KMT2A
SCHEMBL13510711 0.72 MAP4K4 (0.51) ALDH1A1MEN1KMT2AKDM4EPDE4B
SCHEMBL13510682 0.71 MAPK14 (0.43) TDP1MEN1KMT2AKDM4EUSP2

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-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 — — 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 (2 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-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 PTGS2 2731/4885TDP1 2676/4885TP53 1359/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 PTGS2 3650/4885TDP1 2028/4885TP53 342/4885

“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.

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