SCHEMBL16755327

SCHEMBL16755327

C#Cc1cc(NC(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.81
▸ SRC P12931 1/20 0.61
▸ ABL1 P00519 7/20 0.60
▸ BRAF P15056 2/20 0.59
▸ FGFR1 P11362 3/20 0.58
▸ KDR P35968 2/20 0.58
▸ CSF1R P07333 1/20 0.58

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
SCHEMBL17936186 0.90 KIT (0.93) KITABL1BRAFFGFR1KDR
SCHEMBL30080773 0.90 KIT (0.93) KITABL1BRAFFGFR1KDR
SCHEMBL4103102 0.90 KIT (1.00) KITABL1BRAFFGFR1KDR
SCHEMBL29856181 0.90 KIT (1.00) KITABL1BRAFFGFR1KDR
SCHEMBL16908401 0.87 ABL1 (0.64) KITSRCABL1FGFR1KDR
SCHEMBL29674969 0.85 KIT (0.80) KITSRCABL1BRAF
SCHEMBL16755287 0.85 KIT (0.80) KITSRCABL1BRAF
SCHEMBL16755299 0.83 KIT (0.87) KITSRCABL1BRAFFGFR1
SCHEMBL30904911 0.82 KIT (0.71) KITSRCABL1BRAF
SCHEMBL20912769 0.82 KIT (0.71) KITSRCABL1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255107-B2 Heteroaryl alkyne compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-02-09 — — US disclosed
US-20150299202-A1 HETEROARYL ALKYNE COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-10-22 — — US disclosed
EP-2927232-A1 HETEROARYL ALKYNE COMPOUND AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-10-07 — — EP disclosed
EP-2896620-A1 ALKYNYL HETEROAROMATIC RING COMPOUND AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-07-22 — — EP disclosed
CN-104797581-A HETEROARYL ALKYNE COMPOUND AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO LTD 2015-07-22 — — CN disclosed
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-06-04 — — 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-20150299202-A1 HETEROARYL ALKYNE COMPOUND AND USE THEREOF ABL1, ALK, ABL2 KIT 163/4885SRC 5/4885ABL1 1/4885
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF ALK, CYP3A43, ALKBH3 KIT 1066/4885SRC 210/4885ABL1 290/4885

“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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