SCHEMBL16708697

SCHEMBL16708697

Cc1ccc2c(-c3cn[nH]c3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
LRRK2 Q5S007 1/20 0.47
CHUK O15111 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
NR4A2 P43354 1/20 0.43
HTR2A P28223 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
IMPDH2 P12268 2/20 0.41
DYRK1A Q13627 2/20 0.41
NFATC1 O95644 1/20 0.40

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
SCHEMBL16697436 0.81 TDO2 (0.61) TDO2
SCHEMBL18509943 0.80 MEN1 (0.53) TDO2MEN1KMT2ANR4A2HTR2A
SCHEMBL16698347 0.78 DYRK1A (0.59) TDO2MEN1KMT2APIM1PIM3
SCHEMBL21892784 0.77 IMPDH2 (0.58) TDO2MEN1KMT2ANR4A2HTR2A
SCHEMBL16697582 0.77 IMPDH2 (0.59) TDO2PIM1PIM3PIM2NR4A2
SCHEMBL29563848 0.77 IMPDH2 (0.59) TDO2PIM1PIM3PIM2NR4A2
SCHEMBL16697445 0.74 TDO2 (0.57) TDO2PIM1PIM3PIM2CHUK
SCHEMBL28160319 0.74 PIM1 (0.52) TDO2MEN1KMT2APIM1PIM3
SCHEMBL31517778 0.74 TDO2 (0.60) TDO2MEN1KMT2ANR4A2
SCHEMBL16596104 0.74 DYRK1A (0.70) TDO2PIM1HTR2AIMPDH2DYRK1A

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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 US disclosed
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 US disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 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 (3 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 TDO2 1/4885MEN1 4785/4885KMT2A 2859/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 TDO2 1/4885MEN1 4783/4885KMT2A 3622/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 TDO2 1/4885MEN1 4765/4885KMT2A 3709/4885

“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.