SCHEMBL313997

SCHEMBL313997

CC1CNc2cc(Cl)ccc2-n2c(-c3cccc(F)c3)nnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
TP53 P04637 1/20 0.35
BRD4 O60885 6/20 0.35
ALDH1A1 P00352 3/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
CREBBP Q92793 1/20 0.34
AVPR1A P37288 1/20 0.34
P2RX7 Q99572 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.33
GABRA1 P14867 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL314214 1.00 HSD11B1 (0.39) HSD11B1TP53BRD4ALDH1A1BRD2
SCHEMBL314215 1.00 HSD11B1 (0.39) HSD11B1TP53BRD4ALDH1A1BRD2
SCHEMBL315182 0.91 TP53 (0.43) HSD11B1TP53BRD4ALDH1A1BRD2
SCHEMBL315183 0.91 TP53 (0.43) HSD11B1TP53BRD4ALDH1A1BRD2
SCHEMBL315184 0.91 TP53 (0.43) HSD11B1TP53BRD4ALDH1A1BRD2
SCHEMBL314493 0.90 ALDH1A1 (0.41) TP53BRD4ALDH1A1BRD2BRD3
SCHEMBL314492 0.90 ALDH1A1 (0.41) TP53BRD4ALDH1A1BRD2BRD3
SCHEMBL314491 0.90 ALDH1A1 (0.41) TP53BRD4ALDH1A1BRD2BRD3
SCHEMBL314679 0.88 HSD11B1 (0.41) HSD11B1TP53BRD4BRD2BRD3
SCHEMBL314677 0.88 HSD11B1 (0.41) HSD11B1TP53BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 HSD11B1 1123/4885TP53 293/4885BRD4 808/4885

“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.