SCHEMBL10129237

SCHEMBL10129237

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(N[C@H]4CC[C@H](O)CC4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.55
▸ ROS1 P08922 5/20 0.55
▸ FLT3 P36888 5/20 0.55
▸ EML4 Q9HC35 4/20 0.55
▸ ALK Q9UM73 4/20 0.55
▸ SYK P43405 6/20 0.52
▸ LCK P06239 4/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ BTK Q06187 2/20 0.47
▸ GPR119 Q8TDV5 1/20 0.46
▸ EGFR P00533 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL17690593 0.91 SYK (0.50) RETROS1FLT3EML4ALK
SCHEMBL17689779 0.88 FLT3 (0.48) RETROS1FLT3EML4ALK
SCHEMBL16541266 0.87 EML4 (0.70) RETROS1FLT3EML4ALK
SCHEMBL10129238 0.85 EML4 (0.61) RETROS1FLT3EML4ALK
SCHEMBL10129377 0.85 ALK (0.77) RETROS1FLT3EML4ALK
SCHEMBL14956008 0.84 SYK (0.65) RETROS1FLT3EML4ALK
SCHEMBL10127393 0.83 CCND3 (0.56) ALKSYKLCKJAK3CCNK
SCHEMBL16206874 0.81 BTK (0.55) EML4ALKSYKLCKJAK3
SCHEMBL24927490 0.80 LCK (0.59) SYKLCKJAK3CCNKCCNA2
SCHEMBL21946318 0.80 LCK (0.59) SYKLCKJAK3CCNKCCNA2

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 8 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
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
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — US 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 RET 4/4885ROS1 401/4885FLT3 5/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 RET 4/4885ROS1 401/4885FLT3 5/4885

“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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