SCHEMBL9980461

SCHEMBL9980461

Clc1ccc2ncc(I)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.35
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PIK3CD O00329 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL27259595 0.84 ALDH1A1 (0.52) ALDH1A1HPGDFGFR3KDRNPC1
SCHEMBL15551629 0.79 ALDH1A1 (0.45) ALDH1A1HPGDFGFR3KDRNPC1
SCHEMBL12565424 0.76 ALDH1A1 (0.52) ALDH1A1HPGDFGFR3KDR
SCHEMBL30908140 0.76 ALDH1A1 (0.52) ALDH1A1HPGDFGFR3KDR
SCHEMBL1932985 0.76 ALDH1A1 (0.42) ALDH1A1HPGDFGFR3KDRSMN1; SMN2
SCHEMBL4540262 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL15885419 0.76 ALDH1A1 (0.42) ALDH1A1HPGDFGFR3KDRNPC1
SCHEMBL15690548 0.76 ALDH1A1 (0.42) ALDH1A1HPGDFGFR3KDRNPC1
SCHEMBL27259229 0.72 BACE1 (0.33) CRHBPCRHR2
SCHEMBL15043760 0.72 ADORA3 (0.39) ALDH1A1HPGDFGFR3KDRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 WO disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
EP-2575462-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-06-22 EP disclosed
EP-2575462-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-06-22 EP disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013078441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-30 WO disclosed
WO-2013071264-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
EP-2575462-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Intellikine, LLC (US) 2013-04-10 EP disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 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 (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-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR ALDH1A1 4784/4885HPGD 4206/4885FGFR3 709/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885HPGD 629/4885FGFR3 726/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 ALDH1A1 4563/4885HPGD 3896/4885FGFR3 794/4885

“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.