SCHEMBL4110676

SCHEMBL4110676

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#C[Si](C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 8/20 0.78
▸ ABL1 P00519 11/20 0.77
▸ FGFR1 P11362 2/20 0.72
▸ KDR P35968 2/20 0.72
▸ CSF1R P07333 1/20 0.72

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
SCHEMBL28054441 0.93 ABL1 (0.69) KITABL1
SCHEMBL4099939 0.92 KIT (0.67) KITABL1FGFR1KDRCSF1R
SCHEMBL16908401 0.91 ABL1 (0.64) KITABL1FGFR1KDRCSF1R
SCHEMBL15498098 0.91 KIT (0.82) KITABL1FGFR1KDRCSF1R
SCHEMBL4104547 0.88 KIT (0.69) KITABL1FGFR1KDRCSF1R
SCHEMBL29856181 0.88 KIT (1.00) KITABL1FGFR1KDRCSF1R
SCHEMBL4103102 0.88 KIT (1.00) KITABL1FGFR1KDRCSF1R
SCHEMBL19317717 0.88 ABL1 (0.84) KITABL1FGFR1KDR
SCHEMBL4112245 0.87 ABL1 (1.00) KITABL1FGFR1KDR
SCHEMBL31620735 0.86 KIT (1.00) KITABL1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632347-B Preparation method of pyrrolopyrazine compound and salt thereof 南京圣和药物研发有限公司 2021-09-10 — — CN disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 — — US disclosed
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-2024366-B1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2015-09-16 — — EP disclosed
EP-2896620-A1 ALKYNYL HETEROAROMATIC RING COMPOUND AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-07-22 — — EP disclosed
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-06-04 — — US disclosed
WO-2015014283-A1 PROTEIN TYROSINE KINASE INHIBITOR AND APPLICATION THEREOF 南京圣和药业股份有限公司 (CN) 2015-02-05 — — WO disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
EP-2024366-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 — — EP disclosed
WO-2007133562-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 — — WO 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 (5 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 KIT 813/4885ABL1 357/4885FGFR1 1012/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 KIT 1003/4885ABL1 71/4885FGFR1 1199/4885
US-20150299202-A1 HETEROARYL ALKYNE COMPOUND AND USE THEREOF ABL1, ALK, ABL2 KIT 163/4885ABL1 1/4885FGFR1 61/4885
US-20150152088-A1 ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF ALK, CYP3A43, ALKBH3 KIT 1066/4885ABL1 290/4885FGFR1 1342/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 KIT 1003/4885ABL1 71/4885FGFR1 1199/4885

“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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