SCHEMBL405476

SCHEMBL405476

Cc1cc(N)c(N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 7/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 1/20 0.36
PKM P14618 1/20 0.33
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1479690 0.86 ALDH1A1 (0.40) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL16660691 0.86 CYP3A4 (0.46) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL29838774 0.86 ALDH1A1 (0.40) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL832391 0.86 CYP3A4 (0.60) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL1548535 0.86 CYP3A4 (0.60) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL28606707 0.80 CYP3A4 (0.60) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL317553 0.79 CD44 (0.52) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL405019 0.79 CYP3A4 (0.40) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL11378722 0.79 ALDH1A1 (0.43) CYP3A4TSHRMAPK1ALDH1A1ALOX15
SCHEMBL15515282 0.79 CYP3A4 (0.46) CD44CYP3A4TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362642-A Polyimide with high Tg and low dielectric constant, and preparation method and application thereof 中国科学院福建物质结构研究所 2024-01-09 CN disclosed
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-01-03 US disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 EP disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 EP disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 CD44 4596/4885CYP3A4 114/4885TSHR 3828/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CD44 3749/4885CYP3A4 3093/4885TSHR 791/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CD44 4693/4885CYP3A4 104/4885TSHR 4027/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885TSHR 82/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CD44 3749/4885CYP3A4 3093/4885TSHR 791/4885
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CD44 3731/4885CYP3A4 3051/4885TSHR 3107/4885
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BRAF, RAF1, ARAF CD44 2941/4885CYP3A4 2432/4885TSHR 3343/4885

“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.