SCHEMBL356291

SCHEMBL356291

Nc1ccc(-n2cncn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2A6 P11509 1/20 0.42
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
FBP1 P09467 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA7 P36544 1/20 0.36
F9 P00740 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
DPP4 P27487 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL3313764 0.86 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL6592711 0.84 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL1852173 0.79 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL6225101 0.79 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL10177813 0.79 CYP1A2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL12276647 0.79 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL1824296 0.79 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL12215767 0.79 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
Hydrochloric Acid SCHEMBL2528266 0.78 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A
SCHEMBL1239473 0.76 PDE2A (0.43) ALDH1A1KDM4ESMN1; SMN2CYP2A6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101212986-B Stable emulsified composition TAKEDA PHARMACEUTICAL 2015-01-14 CN disclosed
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
US-20030216475-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-20 US disclosed
US-20030212114-A1 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-13 US disclosed
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1310248-A1 PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 ALDH1A1 1676/4885KDM4E 3195/4885SMN1; SMN2 4680/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 ALDH1A1 3244/4885KDM4E 3790/4885SMN1; SMN2 4268/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 ALDH1A1 312/4885KDM4E 2157/4885SMN1; SMN2 1046/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 ALDH1A1 3168/4885KDM4E 4235/4885SMN1; SMN2 3820/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 ALDH1A1 519/4885KDM4E 4352/4885SMN1; SMN2 2130/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 ALDH1A1 259/4885KDM4E 2298/4885SMN1; SMN2 864/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 ALDH1A1 939/4885KDM4E 3462/4885SMN1; SMN2 4176/4885

“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.