SCHEMBL3084662

SCHEMBL3084662

[CH2]c1cccc2nc[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAD52 P43351 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ PRKCI P41743 1/20 0.31

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
SCHEMBL196912 0.77 PARP1 (0.42) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL3232202 0.76 PARP1 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL8668 0.74 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL4130388 0.74 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL30036694 0.74 PARP1 (0.43) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL1445123 0.74 PDPK1 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL312428 0.74 PARP1 (0.43) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL1019602 0.74 QPCT (0.42) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL196737 0.74 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL13857865 0.74 PARP1 (0.39) PARP1SMN1; SMN2PDPK1CA12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752328-A A kind of method of easy synthesis Azilsartan 常州大学 2018-11-06 — — CN disclosed
CN-105531265-B Pesticidal compounds 巴斯夫欧洲公司 2018-07-20 — — CN disclosed
CN-107872977-A The combination product of IRAK4 inhibitor and BTK inhibitor 拜耳制药股份公司 2018-04-03 — — CN disclosed
CN-104230909-B A kind of preparation method of Azilsartan 中国人民解放军第二三○医院 2018-01-09 — — CN disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 — — EP disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 — — US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 — — EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 — — US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 — — EP disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 — — US disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 — — WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 — — 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 (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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 PARP1 2928/4885SMN1; SMN2 673/4885PDPK1 3566/4885
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 PARP1 1497/4885SMN1; SMN2 4700/4885PDPK1 2401/4885

“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.

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