SCHEMBL1408400

SCHEMBL1408400

Nc1ccc(I)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TSHR P16473 2/20 0.61
GLA P06280 1/20 0.61
POLB P06746 1/20 0.61
KIF11 P52732 4/20 0.42
KDM4E B2RXH2 3/20 0.41
AR P10275 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
NR1H2 P55055 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3403582 0.82 GAA (0.56) GAATSHRGLAPOLBKIF11
SCHEMBL29420085 0.78 TSHR (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL827884 0.78 TSHR (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL670777 0.76 GAA (0.67) GAATSHRGLAPOLBKIF11
SCHEMBL29402330 0.76 GAA (0.67) GAATSHRGLAPOLBKIF11
SCHEMBL6058773 0.76 NOTUM (0.35) GAATSHRGLAPOLBCFTR
SCHEMBL109685 0.76 TSHR (1.00) GAATSHRGLAPOLBKIF11
SCHEMBL17451259 0.76 TSHR (1.00) GAATSHRGLAPOLBKIF11
SCHEMBL29350569 0.76 TSHR (1.00) GAATSHRGLAPOLBKIF11
SCHEMBL3533535 0.74 TSHR (0.64) GAATSHRGLAPOLBKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-11807609-B2 Deuterated compounds as immunomodulators CHEMOCENTRYX, INC. (US) 2023-11-07 US disclosed
US-11807609-B2 Deuterated compounds as immunomodulators CHEMOCENTRYX, INC. (US) 2023-11-07 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-20210276955-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2021-09-09 US disclosed
US-20210276955-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS CHEMOCENTRYX, INC. 2021-09-09 US disclosed
CN-108017557-B Cyanidation method for preparing nitrile compound 中国科学院兰州化学物理研究所苏州研究院 2020-11-24 CN disclosed
CN-111741754-A Deuterated compounds as immunomodulators 凯莫森特里克斯股份有限公司 2020-10-02 CN disclosed
EP-3703687-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS ChemoCentryx, Inc. (US) 2020-09-09 EP disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO disclosed
CN-1152031-C Isoquinoline derivatives having angiogenesis inhibitory activity ��˹��ŵ�� 2004-06-02 CN disclosed
US-6608071-B2 Angiogenesis inhibitors as antitumor agents NOVARTIS AG (CH) 2003-08-19 US disclosed
US-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity NOVARTIS AG (CH) 2002-01-24 US disclosed
CN-1319100-A Isoquinoline derivatives having angiogenesis inhibitory activity NOVARTIS AG (CH) 2001-10-24 CN disclosed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 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 (5 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-11807609-B2 Deuterated compounds as immunomodulators C3AR1, C5AR1, C5AR2 GAA 4867/4885TSHR 236/4885GLA 4000/4885
US-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity VEGFA, CCNY, PGF GAA 4481/4885TSHR 2127/4885GLA 1967/4885
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS GAA 4834/4885TSHR 73/4885GLA 3973/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS GAA 4845/4885TSHR 52/4885GLA 3928/4885
US-20210276955-A1 DEUTERATED COMPOUNDS AS IMMUNOMODULATORS C3AR1, C5AR1, C5AR2 GAA 4867/4885TSHR 236/4885GLA 4000/4885

“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.