SCHEMBL12876007

SCHEMBL12876007

O=C(c1ccccc1)c1cnc2[nH]ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
PRKCI P41743 1/20 0.53
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
MGLL Q99685 3/20 0.47
CCNE2 O96020 3/20 0.45
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
JAK1 P23458 7/20 0.42
JAK2 O60674 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
EGFR P00533 1/20 0.41
AURKB Q96GD4 1/20 0.41
KIT P10721 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
SCHEMBL2322145 0.84 AXL (0.51) AXLPRKCITTBK1TTBK2MGLL
SCHEMBL1154022 0.83 AXL (0.56) AXLPRKCIMGLLJAK1JAK2
SCHEMBL29588316 0.83 AXL (0.56) AXLPRKCIMGLLJAK1JAK2
SCHEMBL1933959 0.83 AXL (0.50) AXLPRKCIJAK1JAK2TYK2
SCHEMBL28735132 0.80 AXL (0.56) AXLPRKCIMGLLJAK1JAK2
SCHEMBL29588238 0.80 AXL (0.56) AXLPRKCIMGLLJAK1JAK2
SCHEMBL29378769 0.79 AXL (0.55) AXLPRKCIJAK1JAK2TYK2
SCHEMBL12876546 0.79 AXL (0.55) AXLPRKCIJAK1JAK2TYK2
SCHEMBL1154763 0.79 AXL (0.54) AXLPRKCIJAK1JAK2TYK2
SCHEMBL29713778 0.79 AXL (0.54) AXLPRKCIJAK1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 AXL 973/4885PRKCI 340/4885TTBK1 692/4885
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 AXL 760/4885PRKCI 416/4885TTBK1 795/4885

“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.