SCHEMBL10171019

SCHEMBL10171019

Brc1ccc2c(c1)CN1CN2Cc2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
HSD17B3 P37058 6/20 0.36
ASIC3 Q9UHC3 2/20 0.35
SRD5A1 P18405 1/20 0.35
PNMT P11086 1/20 0.34
ROCK1 Q13464 1/20 0.34
TERT O14746 1/20 0.33
MAPT P10636 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
METAP1 P53582 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
TDP2 O95551 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32

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
SCHEMBL29424500 0.77
SCHEMBL10171016 0.74 BRD4 (0.53) BRD4HSD17B3ASIC3SRD5A1PNMT
SCHEMBL19743790 0.74 ACHE (0.41)
SCHEMBL2759894 0.74 NOTUM (0.41) HSD17B3SRD5A1TERTMAPT
SCHEMBL29409666 0.74 NOTUM (0.41) HSD17B3SRD5A1TERTMAPT
SCHEMBL30914232 0.74 MAPT (0.42) HSD17B3TERTMAPT
Ammonia Solution, Strong SCHEMBL18320013 0.72 NOTUM (0.40) HSD17B3SRD5A1TERTMAPT
SCHEMBL18891150 0.69 ALDH1A1 (0.46) PNMTMAPTTDP2
SCHEMBL18373702 0.68 ROCK1 (0.46) HSD17B3ASIC3SRD5A1PNMTROCK1
SCHEMBL18883954 0.67 KMT2A (0.49) PNMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC BRD4 572/4885HSD17B3 728/4885ASIC3 4577/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 BRD4 446/4885HSD17B3 755/4885ASIC3 4488/4885

“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.