SCHEMBL681850

SCHEMBL681850

OCc1cccnc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.42
SCN2A Q99250 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3063649 0.98 CYP2C19 (0.51) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL16100167 0.86 CHIA (0.49)
SCHEMBL8486989 0.85 CHIA (0.53) CYP1A2CYP3A4TSHRHSD17B10ALDH1A1
SCHEMBL2417746 0.85 EPHX2 (0.55) KDM4EALDH1A1
SCHEMBL3081290 0.85 CYP1A2 (0.52) CYP1A2CYP2C9P2RX7KDM4ESCN2A
SCHEMBL17486665 0.85 KDM4E (0.39) CYP1A2CYP2C9CYP2C19KMT2AKDM4E
SCHEMBL11868838 0.82 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL18291849 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL22400199 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL30912118 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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 (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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP1A2 2911/4885CYP2C9 3405/4885CYP2C19 2124/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP1A2 2911/4885CYP2C9 3405/4885CYP2C19 2124/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP1A2 2911/4885CYP2C9 3405/4885CYP2C19 2124/4885

“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.