SCHEMBL1260587

SCHEMBL1260587

Cc1ccnc(Br)c1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LIMK1 P53667 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
TYK2 P29597 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL25932246 0.82 CSNK1A1 (0.36) ALDH1A1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL1261411 0.82 ALDH1A1 (0.41) ALDH1A1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL28176465 0.81 SIRT3 (0.43) CCR1CCR5CCR8NOS3NOS2
SCHEMBL411769 0.80 ITGB1 (0.36) ALDH1A1CCR1CCR5CCR8NOS3
SCHEMBL10561174 0.78 ALDH1A1 (0.39) ALDH1A1CCR1CCR5CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL3283632 0.78 ITGB1 (0.36) ALDH1A1CCR1CCR5CCR8NOS3
SCHEMBL31214389 0.78 CA12 (0.41) ALDH1A1KDM4ETDP1RAB9AHPGD
SCHEMBL14352047 0.78 CA12 (0.41) ALDH1A1KDM4ETDP1RAB9AHPGD
SCHEMBL1260935 0.75 CA12 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1NPC1
SCHEMBL30503143 0.75 CA12 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2026-02-12 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2022-11-24 US disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
US-20180258103-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-09-13 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
CN-101965336-A Certain chemical entities, compositions, and methods INTELLIKINE INC 2011-02-02 CN disclosed
EP-2240452-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2010-10-20 EP disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 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 (6 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ALDH1A1 2457/4885CCR1 3030/4885CCR5 3966/4885
US-20180258103-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 3187/4885CCR1 2957/4885CCR5 4000/4885
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 3187/4885CCR1 2957/4885CCR5 4000/4885
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PTEN, PIK3C2A, PIK3CA ALDH1A1 3910/4885CCR1 878/4885CCR5 840/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 2827/4885CCR1 4204/4885CCR5 4593/4885
US-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 3187/4885CCR1 2957/4885CCR5 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.