SCHEMBL226938

SCHEMBL226938

CN(C)c1cccc2[c]cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CA2 P00918 1/20 0.41
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL249747 0.86 CHEK1 (0.44) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8315877 0.82 CA2 (0.30) CA2
SCHEMBL8800532 0.81 CHEK1 (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL297736 0.79 AR (0.33) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL4014825 0.77 CRHR1 (0.37)
SCHEMBL2251540 0.77 MCL1 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2253368 0.77 MCL1 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL297631 0.76 KDM4E (0.31) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8720110 0.75 CHEK1 (0.65) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL297647 0.74 CRHR1 (0.36) GAAKDM4EMAPTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
CN-103384662-A Novel 1, 2-bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN INC 2013-11-06 CN claimed
US-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 US claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 WO claimed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP claimed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 WO claimed
EP-0097630-B1 NEW THROMBIN INHIBITING COMPOUNDS KabiVitrum AB (SE) 1986-10-15 EP claimed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 EP claimed
US-4537896-A Thrombin inhibiting arylsulfonyl guanidinophenylalanine amides KABIVITRUM AB (SE) 1985-08-27 US claimed
EP-0097630-A2 New thrombin inhibiting compounds KabiVitrum AB (SE) 1984-01-04 EP claimed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 US claimed
US-4096255-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-20 US claimed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed

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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 CHEK1 2411/4885NEK2 1089/4885LIMK1 1052/4885
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 CHEK1 3427/4885NEK2 4328/4885LIMK1 4576/4885

“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.