SCHEMBL2966751

SCHEMBL2966751

Cc1c(N)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
PIK3CA P42336 1/20 0.41
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRNB2 P17787 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAOA P21397 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
TP53 P04637 1/20 0.32
CD44 P16070 1/20 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
SCHEMBL29625082 1.00 NOTUM (0.44) NOTUMALDH1A1TSHRCYP3A4PIK3CA
SCHEMBL5262035 1.00 NOTUM (0.44) NOTUMALDH1A1TSHRCYP3A4PIK3CA
Hydrochloric Acid SCHEMBL10767170 0.98 NOTUM (0.42) NOTUMALDH1A1TSHRCYP3A4PIK3CA
SCHEMBL26448370 0.78 NOTUM (0.47) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21776898 0.78 NOTUM (0.57) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3589994 0.78 NOTUM (0.47) NOTUMALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL25369837 0.77 CYP3A4 (0.37) ALDH1A1TSHRCYP3A4PIK3CATP53
SCHEMBL3289181 0.77 NOTUM (0.45) NOTUMALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL5734773 0.75 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL23226961 0.75 NOTUM (0.44) NOTUMCYP3A4CYP1A2CYP2C9CHRNB2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-9920044-B2 Selective androgen receptor modulators RADIUS PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
US-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. 2015-11-12 US disclosed
US-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. 2015-11-12 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-11-23 US disclosed
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-10-05 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
EP-1458723-A4 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 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 (7 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-20150322059-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, GPR119 NOTUM 4600/4885ALDH1A1 1277/4885TSHR 382/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOTUM 4012/4885ALDH1A1 3219/4885TSHR 101/4885
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOTUM 4012/4885ALDH1A1 3219/4885TSHR 101/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOTUM 4012/4885ALDH1A1 3219/4885TSHR 101/4885
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOTUM 4012/4885ALDH1A1 3219/4885TSHR 101/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 NOTUM 4012/4885ALDH1A1 3219/4885TSHR 101/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 NOTUM 2706/4885ALDH1A1 870/4885TSHR 3222/4885

“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.