SCHEMBL173885

SCHEMBL173885

Fc1ccc(-n2cccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.67
MAPK1 P28482 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRNA7 P36544 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PDK2 Q15119 1/20 0.43
HDAC4 P56524 1/20 0.43
FLT3 P36888 1/20 0.42
LMNA P02545 1/20 0.42

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
Hydrochloric Acid SCHEMBL7809916 0.98 NOTUM (0.64) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL4341894 0.91 NOTUM (0.78) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL5962918 0.89 NOTUM (0.55) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL27250 0.81 NOTUM (0.65) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL482303 0.80 NOTUM (0.64) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL182132 0.80 NOTUM (1.00) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL14593840 0.80 NOTUM (0.48) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL674972 0.80 NOTUM (0.64) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL8116096 0.80 NOTUM (0.64) NOTUMMAPK1KDM4EALDH1A1MAPT
SCHEMBL82721 0.80 NOTUM (0.64) NOTUMMAPK1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
EP-3400220-A1 PYRAZOLE DERIVATIVES Hua Medicine (Shanghai) Ltd. (CN) 2018-11-14 EP claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
CN-107486158-A There is the montmorillonite-base sorbing material its preparation method of solidification function to mercury in river bottom mud 北京清水润土环保科技有限公司 2017-12-19 CN claimed
WO-2017117708-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2017-07-13 WO claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
CN-100354275-C Pyrazolopyridine derivates URIACH Y COMPAGNIA S A J (ES) 2007-12-12 CN claimed
CN-1753894-A Pyrazolopyridine derivates URIACH Y COMPAGNIA S A J (ES) 2006-03-29 CN claimed
US-20250326713-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-23 US disclosed
US-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
EP-4525851-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO disclosed
CN-1376147-A Pyrazole derivatives HOFFMANN LA ROCHE (CH) 2002-10-23 CN disclosed
WO-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed
CN-1046275-C 2-methoxyiminophenyl-N-methylacetamide derivatives, process for their preparation, their use and compositions containing them BASF AG (DE) 1999-11-10 CN 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 (8 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOTUM 1527/4885MAPK1 2004/4885KDM4E 2133/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NOTUM 1328/4885MAPK1 1884/4885KDM4E 1401/4885
US-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MSRB3, ABCC1, MRPS34 NOTUM 3456/4885MAPK1 1117/4885KDM4E 2123/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOTUM 1527/4885MAPK1 2004/4885KDM4E 2133/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NOTUM 1527/4885MAPK1 2004/4885KDM4E 2133/4885
US-20250326713-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MSRB3, ARSA, ABCG2 NOTUM 3145/4885MAPK1 1901/4885KDM4E 848/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOTUM 1272/4885MAPK1 1991/4885KDM4E 1325/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NOTUM 1272/4885MAPK1 1991/4885KDM4E 1325/4885

“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.