SCHEMBL4847668

SCHEMBL4847668

CC(=O)Nc1ccc(I)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
RXFP1 Q9HBX9 2/20 0.50
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRE P23469 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL29651075 1.00 CA1 (0.58) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL10852754 0.81 CA1 (0.60) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL31236186 0.81 ALDH1A1 (0.62) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL31236185 0.81 ALDH1A1 (0.62) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL1801329 0.81 ALDH1A1 (0.62) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL31435389 0.79 RAB9A (0.61) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL11637696 0.79 CA1 (0.60) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL31198178 0.79 CA1 (0.60) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL11638580 0.79 CA1 (0.60) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL420721 0.79 RAB9A (0.61) CA1CA2CA9RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
WO-2010012745-A2 BENZIMIDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-7378240-B2 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY(dA-dT)]2 binders LIGHT UP TECHNOLOGIES AB (SE) 2008-05-27 US disclosed
EP-1390433-B1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF POLY(DA-DT)] 2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2005-02-16 EP disclosed
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders LIGHT UP TECHNOLOGIES AB (SE) 2004-07-08 US disclosed
EP-1390433-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF POLY(DA-DT)] 2 BINDERS Light Up Technologies AB (SE) 2004-02-25 EP disclosed
WO-2002090443-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF [POLY(DA-DT)]2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2002-11-14 WO 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 (4 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 CA1 3392/4885CA2 2385/4885CA9 1838/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 CA1 4076/4885CA2 3113/4885CA9 1496/4885
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders CCNK, CDK3, CCNO CA1 4652/4885CA2 4057/4885CA9 2783/4885
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders DRD4, FUT4, DRD1 CA1 478/4885CA2 316/4885CA9 116/4885

“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.