Sugi Predict

Sugi Predict / Compounds / SCHEMBL3745071

SCHEMBL3745071

SCHEMBL3745071

Cc1cccc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(C)n5)[nH]4)n3)[nH]2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.62
▸ CCR8 P51685 1/20 0.62
▸ METAP2 P50579 1/20 0.48
▸ CYP2A6 P11509 1/20 0.44
▸ NOS3 P29474 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ TGFBR1 P36897 9/20 0.41
▸ MAPK14 Q16539 2/20 0.38
▸ MTOR P42345 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 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
SCHEMBL16715991 0.98 CCR1 (0.67) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL1456972 0.96 CCR1 (0.62) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4036263 0.88 CCR1 (0.58) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL1457181 0.87 CCR1 (0.57) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL3751824 0.87 CCR1 (0.52) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL4037764 0.85 CCR1 (0.50) CCR1CCR8METAP2CYP2A6MEN1
SCHEMBL3754653 0.83 CCR1 (0.52) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL3423401 0.81 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL3422291 0.81 CCR1 (0.94) CCR1CCR8METAP2CYP2A6NOS3
SCHEMBL196966 0.78 CCR1 (1.00) CCR1CCR8METAP2CYP2A6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 — — US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 — — US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 — — US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 — — US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 — — US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 — — US disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 — — 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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP CCR1 3696/4885CCR8 3435/4885METAP2 561/4885

“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.