SCHEMBL14924436

SCHEMBL14924436

COc1cc(C)ccc1C(=O)NC1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
NPC1 O15118 1/20 0.49
HTR4 Q13639 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
LRRK2 Q5S007 1/20 0.48
USP30 Q70CQ3 1/20 0.48
CCR3 P51677 1/20 0.47

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
SCHEMBL178457 0.89 ALDH1A1 (0.60) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL13880742 0.87 CRBN (0.57) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL16294450 0.85 KMT2A (0.64) KMT2AMEN1RAB9ATAS1R3TAS1R1
SCHEMBL14924096 0.84 KMT2A (0.51) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL13162889 0.84 NPC1 (0.53) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18010687 0.82 ACKR3 (0.55) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL14924434 0.82 NPC1 (0.73) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL14454210 0.80 ALDH1A1 (0.47) KMT2AKDM4EMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL8901152 0.79 DRD4 (0.65) ALDH1A1HPGDUSP30
Hydrochloric Acid SCHEMBL8901146 0.79 DRD4 (0.65) ALDH1A1HPGDUSP30

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
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN KMT2A 1857/4885KDM4E 1688/4885MEN1 4259/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KMT2A 1823/4885KDM4E 1746/4885MEN1 3929/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KMT2A 1823/4885KDM4E 1746/4885MEN1 3929/4885

“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.