SCHEMBL15344978

SCHEMBL15344978

Cc1ccnc(-c2ccc3[nH]ncc3c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP2 P50579 2/20 0.45
DRD1 P21728 12/20 0.40
CYP2A6 P11509 1/20 0.39
TGFBR1 P36897 2/20 0.36
IDO1 P14902 1/20 0.36
PIM1 P11309 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
SCHEMBL20132648 0.83 METAP2 (0.42) METAP2DRD1TGFBR1PIM1
SCHEMBL15345023 0.75 TRPA1 (0.48) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL15344157 0.72 GSK3B (0.57) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL15344997 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL31219877 0.70 DRD1 (0.38) DRD1TGFBR1
SCHEMBL25175308 0.70 PIK3CA (0.43) METAP2DRD1TGFBR1IDO1
SCHEMBL12657556 0.69 CCR1 (0.61) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL25171713 0.69 MAP4K4 (0.42) METAP2DRD1
SCHEMBL8404436 0.68 IDO1 (0.46) METAP2IDO1
SCHEMBL15756768 0.68 NUDT1 (0.55) TGFBR1

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885

“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.