SCHEMBL17980982

SCHEMBL17980982

COc1cc(OC2CCC(N)CC2)cc2c(-c3cc4ccccc4o3)cncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ PIKFYVE Q9Y2I7 1/20 0.38
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CHRM2 P08172 2/20 0.34

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
SCHEMBL18024551 1.00 KMT2A (0.39) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL17981244 0.87 PIKFYVE (0.39) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL18024235 0.87 PIKFYVE (0.39) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL17981280 0.85 LDHA (0.39) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18024671 0.84 PIKFYVE (0.46) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL17980924 0.84 PIKFYVE (0.46) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL18024342 0.83 PRKCZ (0.50) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL18024308 0.83 PRKCZ (0.50) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL17981335 0.83 PRKCZ (0.50) KMT2APIKFYVECHRNB1CHRNB2CHRNB4
SCHEMBL18024210 0.82 IMPDH2 (0.38) KMT2APIKFYVEMAPTKDM4EALDH1A1

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
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 — — US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 — — US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 — — EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 — — 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 (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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 KMT2A 2508/4885PIKFYVE 3587/4885CHRNB1 303/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 KMT2A 2476/4885PIKFYVE 3584/4885CHRNB1 304/4885

“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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