SCHEMBL3365801

SCHEMBL3365801

Cc1cc(Cl)c(N)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CD44 P16070 1/20 0.46
CYP3A4 P08684 6/20 0.40
TSHR P16473 5/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
AHR P35869 3/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
UHRF1 Q96T88 1/20 0.33
CYP1A2 P05177 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
SCHEMBL4728147 0.91 CD44 (0.52) GAACD44CYP3A4TSHRMAPK1
SCHEMBL3646364 0.83 CD44 (0.48) GAACD44CYP3A4TSHRMAPK1
SCHEMBL434710 0.82 GAA (0.58) GAACD44CYP3A4TSHRMAPK1
SCHEMBL29690253 0.79 CYP3A4 (0.55) GAACD44CYP3A4TSHRMAPK1
SCHEMBL21404025 0.79 AHR (0.40) CD44CYP3A4TSHRMAPK1POLB
SCHEMBL1199708 0.79 CYP3A4 (0.63) GAACD44CYP3A4TSHRMAPK1
SCHEMBL3046974 0.79 CYP3A4 (0.55) GAACD44CYP3A4TSHRMAPK1
SCHEMBL30609661 0.79 AHR (0.40) CD44CYP3A4TSHRMAPK1POLB
SCHEMBL16282614 0.79 CD44 (0.62) GAACD44CYP3A4TSHRMAPK1
SCHEMBL31387618 0.79 CYP3A4 (0.63) GAACD44CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
WO-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
CN-101711252-A heterocyclic spiro-compounds NOVARTIS AG 2010-05-19 CN disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 GAA 3482/4885CD44 1135/4885CYP3A4 2522/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 GAA 331/4885CD44 2688/4885CYP3A4 89/4885
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 GAA 1849/4885CD44 4523/4885CYP3A4 135/4885

“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.