SCHEMBL1818088

SCHEMBL1818088

Cc1ccc(Nc2cc(-n3ccnc3Nc3ccccc3Cl)ncn2)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 4/20 0.55
▸ BTK Q06187 3/20 0.52
▸ KDR P35968 1/20 0.47
▸ LCK P06239 4/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ MAPK10 P53779 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SLC34A1 Q06495 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ HSF1 Q00613 1/20 0.34

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
SCHEMBL3236509 0.88 HCK (0.52) HCKBTKKDRCCNE1CDK2
SCHEMBL3234773 0.80 HCK (0.49) HCKBTKKDRMAPK10LMNA
SCHEMBL1827093 0.79 LCK (0.55) HCKBTKLCKMAPK10NPC1
SCHEMBL1825377 0.79 HCK (0.50) HCKBTKKDRLCKCCNE1
SCHEMBL1822750 0.79 AURKA (0.55) HCKBTKKDRLCKCDK2
SCHEMBL1822431 0.78 HCK (0.49) HCKBTKKDRCCNE1CDK2
SCHEMBL1827382 0.77 HCK (0.47) HCKBTKKDRCDK2NPC1
SCHEMBL1826539 0.75 HCK (0.47) HCKBTKKDRLCKCCNE1
SCHEMBL1824843 0.72 KDR (0.56) HCKKDRLCK
SCHEMBL17470278 0.71 HCK (1.00) HCKBTKKDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP claimed
CN-1960988-B Compounds and compositions as protein kinase inhibitors IRM LLC 2012-01-25 — — CN claimed
JP-4688876-B2 — — 2011-05-25 — — JP claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 — — EP claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 — — WO claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 — — US disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP disclosed
CN-1960988-B Compounds and compositions as protein kinase inhibitors IRM LLC 2012-01-25 — — CN disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US 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 (2 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM HCK 4818/4885BTK 4878/4885KDR 4431/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC HCK 94/4885BTK 16/4885KDR 311/4885

“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.

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