SCHEMBL17404661

SCHEMBL17404661

COc1cc(N2CCNCC2)ccc1-c1cnc(N)cc1-c1ccnn1-c1cccc(C)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.77
▸ ADRB1 P08588 2/20 0.44
▸ ACVR1 Q04771 7/20 0.42
▸ TGFBR1 P36897 6/20 0.42
▸ KHK P50053 1/20 0.41
▸ HTR7 P34969 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ SLC2A2 P11168 1/20 0.38
▸ SLC2A3 P11169 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37

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
SCHEMBL15933034 0.91 ALK (0.84) ALKACVR1TGFBR1HTR7HTR1A
Hydrochloric Acid SCHEMBL17310251 0.90 ALK (0.83) ALKACVR1TGFBR1HTR7HTR1A
SCHEMBL15933044 0.89 ALK (0.75) ALKACVR1TGFBR1HTR7
SCHEMBL15933043 0.87 ALK (1.00) ALKACVR1TGFBR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL17310211 0.86 ALK (0.98) ALKACVR1TGFBR1CHRNB2CHRNA4
SCHEMBL15933042 0.85 ALK (1.00) ALKACVR1TGFBR1CHRNB2CHRNA4
SCHEMBL15933040 0.85 ALK (0.88) ALKACVR1TGFBR1CHRNB2CHRNA4
SCHEMBL17404654 0.81 ALK (0.69) ALKNR3C2SLC2A1SLC2A3
SCHEMBL17404673 0.80 ALK (0.60) ALKKHK
SCHEMBL15932988 0.79 ALK (0.62) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 — — US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 — — 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 (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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA ALK 853/4885ADRB1 1059/4885ACVR1 4536/4885

“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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