SCHEMBL15079607

SCHEMBL15079607

COC(CNc1ncc2c(n1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 4/20 0.36
RAB9A P51151 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADORA2A P29274 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SGK1 O00141 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT3 P36888 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
SCHEMBL15079661 0.86 APP (0.36) LMNASMN1; SMN2MAPTRAB9ARXFP1
SCHEMBL16222233 0.76 FLT3 (0.65) FLT3
SCHEMBL13394331 0.74 F2RL3 (0.55) F2RL3MBD2LMNASMN1; SMN2MAPT
SCHEMBL15079506 0.71 FLT3 (0.42) LMNASMN1; SMN2MAPTRAB9ARXFP1
SCHEMBL15079657 0.70 FLT3 (0.57) F2RL3MBD2LMNASMN1; SMN2ALDH1A1
SCHEMBL15079505 0.70 F2RL3 (0.46) F2RL3MBD2LMNASMN1; SMN2ALDH1A1
SCHEMBL16219331 0.70 F2RL3 (0.46) F2RL3MBD2LMNASMN1; SMN2ALDH1A1
SCHEMBL15079641 0.70 FLT3 (0.49) F2RL3MBD2SMN1; SMN2MAPTRAB9A
SCHEMBL785367 0.67 APP (0.54) LMNASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL74225 0.67 TP53 (0.50) LMNASMN1; SMN2MAPTRAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763998-B1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2016-04-27 EP disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
WO-2013091502-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2013-06-27 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-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF MAP3K15, MAP3K1, MAP3K5 F2RL3 3291/4885MBD2 4811/4885LMNA 2436/4885

“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.