SCHEMBL16615157

SCHEMBL16615157

O=C(c1cc2c(nn1)NCCN2Cc1cc(Cl)ccc1Cl)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.51
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
CNR1 P21554 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
ALPL P05186 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16615211 0.88 ALK (0.53) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL16615260 0.86 ALK (0.45) ALK
SCHEMBL17918855 0.85 ALK (0.59) ALKCNR1
SCHEMBL16615184 0.84 ALK (0.46) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL17918724 0.81 CCNC (0.47) ALK
SCHEMBL16615178 0.81 ALK (0.48) ALKMEN1KMT2A
SCHEMBL17918668 0.81 ALK (0.53) ALK
SCHEMBL16615113 0.80 ALK (0.47) ALKKMT2A
SCHEMBL17918714 0.80 ALK (0.45) ALKNPC1RAB9AMEN1KMT2A
SCHEMBL17918715 0.80 KCNQ2 (0.44) ALKNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050884-B1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY NATIONAL PHARMACEUTICAL TECH (RU) 2019-04-03 EP disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 US disclosed
WO-2015047133-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" 2015-04-02 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 (1 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-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 ALK 1031/4885NPC1 2017/4885RAB9A 662/4885

“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.