SCHEMBL4594281

SCHEMBL4594281

N#Cc1c(CBr)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HPRT1 P00492 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
SCHEMBL30439535 1.00 ANPEP (0.48) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL27814389 0.86 ANPEP (0.46) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL15345385 0.81 ANPEP (0.48) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5680176 0.80 ANPEP (0.37) ANPEPALDH1A1KDM4EMEN1GAA
SCHEMBL11214374 0.79 ANPEP (0.46) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20563530 0.77 ANPEP (0.45) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL6910507 0.76 ANPEP (0.44) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL860023 0.75 EGFR (0.38) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL5684070 0.75 ANPEP (0.46) ANPEPALDH1A1KDM4ECA1CA2
SCHEMBL11355072 0.75 ANPEP (0.43) ANPEPCYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524917-B1 FUSED PYRIDINE DERIVATIVES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD (CN) 2018-06-27 EP disclosed
CN-103848811-B Uracil derivant, its preparation method and application thereof 齐鲁制药有限公司 2016-12-21 CN disclosed
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US disclosed
US-8680089-B2 Fused pyridine derivatives Xuanzhu Pharma Co., Ltd. (CN) 2014-03-25 US disclosed
EP-2524917-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharmaco., Ltd. (CN) 2012-11-21 EP disclosed
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharma Co., Ltd. (CN) 2012-11-15 US disclosed
US-20120289497-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharma Co., Ltd. (CN) 2012-11-15 US disclosed
CN-102741251-A Fused pyridine derivatives SHANDONG XUANZHU MEDICINAL CO LTD 2012-10-17 CN disclosed
EP-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 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 (1 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-20120289497-A1 FUSED PYRIDINE DERIVATIVES GPR119, INSR, IAPP ANPEP 3317/4885CYP1A2 395/4885CYP2C19 269/4885

“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.