SCHEMBL114339

SCHEMBL114339

Fc1ncccc1-c1ncnc2c1ncn2C1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
PI4KA P42356 4/20 0.52
PI4K2B Q8TCG2 4/20 0.52
PI4K2A Q9BTU6 4/20 0.52
PI4KB Q9UBF8 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
ADCY1 Q08828 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 2/20 0.48

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
SCHEMBL29877577 1.00 CYP2C19 (0.55) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29878798 0.86 YTHDC1 (0.45) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29878036 0.85 YTHDC1 (0.46) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL114895 0.85 YTHDC1 (0.46) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29877568 0.84 CYP2C19 (0.56) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29877528 0.83 CYP2C19 (0.55) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL16139202 0.83 NPC1 (0.40) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL30078296 0.83 PI4KA (0.53) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL14964635 0.83 PI4KA (0.60) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29877634 0.82 CYP2C19 (0.56) CYP2C19PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
WO-2023183444-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 WO disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
US-11339163-B2 BRaf inhibitors and use thereof for treatment of cutaneous reactions LUTRIS PHARMA LTD. (IL) 2022-05-24 US disclosed
EP-3412670-B1 PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF SAMJIN PHARM CO LTD (KR) 2022-03-09 EP disclosed
EP-3661515-B1 NOVEL BRAF INHIBITORS AND USE THEREOF FOR TREATMENT OF CUTANEOUS REACTIONS LUTRIS PHARMA LTD (IL) 2022-02-23 EP disclosed
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 CN disclosed
US-20210070757-A1 BRAF INHIBITORS AND USE THEREOF FOR TREATMENT OF CUTANEOUS REACTIONS LUTRIS PHARMA LTD (IL) 2021-03-11 US disclosed
US-10927112-B2 BRaf inhibitors and use thereof for treatment of cutaneous reactions LUTRIS PHARMA LTD. (IL) 2021-02-23 US disclosed
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-24 US disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 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 (7 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD CYP2C19 1960/4885PI4KA 23/4885PI4K2B 71/4885
US-11339163-B2 BRaf inhibitors and use thereof for treatment of cutaneous reactions BRAF, NRAS, PIK3C3 CYP2C19 811/4885PI4KA 163/4885PI4K2B 281/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CYP2C19 355/4885PI4KA 238/4885PI4K2B 395/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP CYP2C19 195/4885PI4KA 1412/4885PI4K2B 1078/4885
US-10927112-B2 BRaf inhibitors and use thereof for treatment of cutaneous reactions BRAF, NRAS, RAF1 CYP2C19 475/4885PI4KA 231/4885PI4K2B 354/4885
US-20210070757-A1 BRAF INHIBITORS AND USE THEREOF FOR TREATMENT OF CUTANEOUS REACTIONS BRAF, NRAS, PIK3C3 CYP2C19 811/4885PI4KA 163/4885PI4K2B 281/4885
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof BRAF, KDR, RAF1 CYP2C19 2208/4885PI4KA 449/4885PI4K2B 541/4885

“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.