SCHEMBL135675

SCHEMBL135675

CC(C)C(=O)Nc1nnc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CETP P11597 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL19847604 0.83 GLS (0.42) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL13446569 0.76 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTPOLBKDM4E
SCHEMBL20623042 0.74 L3MBTL1 (0.44) ALDH1A1KMT2AMAPTLMNAHSD17B10
SCHEMBL13446573 0.71 ABL1 (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13024046 0.70 FFAR2 (0.58) TSHRCCNE1CDK2CDK5ALDH1A1
SCHEMBL1137692 0.70 CA1 (0.39) RAB9ANPC1CA1CA2SMN1; SMN2
SCHEMBL20078909 0.70 KMT2A (0.50) ALDH1A1KMT2AHSD17B10RAB9ANPC1
SCHEMBL13875353 0.69 TAS1R3 (0.38)
SCHEMBL12983269 0.68 ALDH1A1 (0.44) TSHRMDM4TP53CCNE1CDK2
SCHEMBL13411743 0.68 CDK2 (0.40) CDK2ALDH1A1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428067-B2 Compounds and methods for kinase modulation PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-8524748-B2 Heteroalkyl biphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-09-03 US disclosed
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 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 (10 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 1067/4885MDM4 4662/4885TP53 4608/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 1067/4885MDM4 4662/4885TP53 4608/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 1067/4885MDM4 4662/4885TP53 4608/4885
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 TSHR 819/4885MDM4 4691/4885TP53 4513/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 613/4885MDM4 4720/4885TP53 4650/4885
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 513/4885MDM4 4781/4885TP53 4532/4885
US-20110245303-A1 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 506/4885MDM4 4665/4885TP53 4557/4885
US-10428067-B2 Compounds and methods for kinase modulation MAP4K2, MAP4K1, MAP3K1 TSHR 2013/4885MDM4 2677/4885TP53 973/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 TSHR 555/4885MDM4 4776/4885TP53 4540/4885
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TSHR 840/4885MDM4 4712/4885TP53 4596/4885

“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.