SCHEMBL328290

SCHEMBL328290

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC)nc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.76
EML4 Q9HC35 6/20 0.76
INSR P06213 10/20 0.61
IGF1R P08069 10/20 0.61
RET P07949 6/20 0.56
ROS1 P08922 6/20 0.56
FLT3 P36888 6/20 0.56
EGFR P00533 5/20 0.55
AURKA O14965 2/20 0.55
STK10 O94804 2/20 0.55
YES1 P07947 2/20 0.55
HCK P08631 2/20 0.55
PHKG2 P15735 2/20 0.55
FER P16591 2/20 0.55
LTK P29376 2/20 0.55
RPS6KA3 P51812 2/20 0.55
CAMK2G Q13555 2/20 0.55
CAMK2D Q13557 2/20 0.55
PTK2B Q14289 2/20 0.55
RPS6KA1 Q15418 2/20 0.55

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
SCHEMBL10127381 0.93 ALK (0.64) ALKEML4INSRIGF1RRET
SCHEMBL10157683 0.91 ALK (0.77) ALKEML4INSRIGF1RRET
SCHEMBL10126771 0.91 ALK (0.63) ALKEML4INSRIGF1RRET
SCHEMBL10126754 0.90 ALK (0.65) ALKEML4INSRIGF1RRET
SCHEMBL16206810 0.90 EML4 (0.62) ALKEML4RETROS1FLT3
SCHEMBL282103 0.86 EML4 (1.00) ALKEML4RETROS1FLT3
SCHEMBL282104 0.86 EML4 (1.00) ALKEML4RETROS1FLT3
SCHEMBL10127610 0.86 ALK (0.56) ALKEML4INSRIGF1RRET
SCHEMBL10127391 0.86 RET (0.73) ALKEML4RETROS1FLT3
SCHEMBL10129244 0.85 EML4 (0.84) ALKEML4RETROS1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALK 2/4885EML4 1/4885INSR 2024/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALK 2/4885EML4 1/4885INSR 2024/4885

“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.