SCHEMBL692396

SCHEMBL692396

Cc1ccccc1-c1cccc(C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HBB P68871 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G7 Q13093 1/20 0.44
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.42
SENP8 Q96LD8 1/20 0.41
MYC P01106 1/20 0.41
DHFR P00374 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
SCHEMBL22289770 0.92 CD44 (0.56) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL30839806 0.92 CD44 (0.62) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL3790203 0.92 CD44 (0.62) CD44CYP3A4TDP1TSHRNPC1
Hydrochloric Acid SCHEMBL11680714 0.90 CD44 (0.59) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL3787337 0.86 CD44 (0.62) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL29414659 0.86 CD44 (0.62) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL3794848 0.86 CD44 (0.62) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL3785981 0.82 PLA2G7 (0.61) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL2277338 0.81 MYC (0.50) CD44CYP3A4TDP1TSHRNPC1
SCHEMBL1497244 0.81 ALDH1A1 (0.50) CD44CYP3A4TDP1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds Theravance Biopharma R&D LP, LLC (US) 2023-08-29 US disclosed
US-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2022-04-14 US disclosed
EP-3746079-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS Bayer Aktiengesellschaft (DE) 2020-12-09 EP disclosed
WO-2019149637-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-08 WO disclosed
WO-2018170275-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-20 WO disclosed
WO-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 WO disclosed
EP-2699551-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
EP-2643321-A1 IMIDAZO [1,2-B]PYRIDAZINE AND IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-10-02 EP disclosed
WO-2012143415-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
WO-2012069202-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL,S.A. (ES) 2012-05-31 WO disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 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 (3 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-20220112219-A1 PROCESSES FOR PREPARING A PAN-JAK INHIBITOR AND RELATED INTERMEDIATE COMPOUNDS JAK1, JAK3, JAK2 CD44 4572/4885CYP3A4 825/4885TDP1 2495/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL CD44 1659/4885CYP3A4 4672/4885TDP1 3110/4885
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 CD44 4572/4885CYP3A4 825/4885TDP1 2495/4885

“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.