SCHEMBL16130442

SCHEMBL16130442

C/C=N\c1ccc(C)cc1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL16130312 0.83 MAPT (0.42) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL18874808 0.83 MAPT (0.42) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL8292092 0.78 CYP3A4 (0.62) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL21131297 0.78 CYP3A4 (0.62) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL23510505 0.78 ALDH1A1 (0.32) CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL12305572 0.75 NPC1 (0.47) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL12830975 0.75 CYP3A4 (0.40) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL20726017 0.74 DHODH (0.49) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL21239424 0.73 CYP3A4 (0.39) CYP3A4ADRA2AKDM4EMAPTLMNA
SCHEMBL19017627 0.73 KDM4E (0.41) CYP3A4ADRA2AKDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 — — 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 (2 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK CYP3A4 1463/4885ADRA2A 4306/4885KDM4E 1281/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP3A4 639/4885ADRA2A 4654/4885KDM4E 1791/4885

“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.

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