SCHEMBL4056715

SCHEMBL4056715

CC(C)(C)c1cc(N)n(-c2ccc(Br)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDK8 P49336 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
Hydrochloric Acid SCHEMBL4056875 0.98 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL366727 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1012343 0.85 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL1504021 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1283896 0.83 CDK8 (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL31265664 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1013888 0.83 PRKCZ (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL274692 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1264553 0.83 CYP1A2 (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2083103 0.83 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490458-A C-3 pyrazole substituted indazole derivative and application thereof 沈阳药科大学 2025-02-21 CN disclosed
WO-2025035645-A1 C-3 PYRAZOLE SUBSTITUTED INDAZOLE DERIVATIVE AND USE THEREOF 沈阳药科大学 2025-02-20 WO disclosed
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033446-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 WO disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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 (4 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-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN NPC1 4589/4885RAB9A 1943/4885SMN1; SMN2 4353/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 NPC1 4774/4885RAB9A 3268/4885SMN1; SMN2 4040/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 NPC1 4635/4885RAB9A 3038/4885SMN1; SMN2 1101/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK NPC1 4578/4885RAB9A 1840/4885SMN1; SMN2 4324/4885

“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.