Sugi Predict

Sugi Predict / Compounds / SCHEMBL5478017

SCHEMBL5478017

SCHEMBL5478017

COc1ccc(-c2c(C)ccn2N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.43
▸ HSP90AB1 P08238 2/20 0.43
▸ CRHR1 P34998 8/20 0.39
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PDE2A O00408 1/20 0.35

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
SCHEMBL5945270 0.86 MEN1 (0.39) CRHR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5784458 0.81 HSD11B1 (0.46) HSP90AA1HSP90AB1CRHR1DPP4DPP8
SCHEMBL12325069 0.78 HSP90AA1 (0.56) HSP90AA1HSP90AB1CRHR1MEN1KMT2A
SCHEMBL5478830 0.73 SCN2A (0.40) CRHR1MEN1KMT2AMAPTRAB9A
SCHEMBL14055298 0.72 HSP90AA1 (0.55) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL7906452 0.71 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL5849690 0.71 HSP90AA1 (0.42) HSP90AA1HSP90AB1CRHR1DPP4DPP8
SCHEMBL2205828 0.68 MAPT (0.50) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL17178231 0.68 HSP90AA1 (0.55) HSP90AA1HSP90AB1CRHR1DPP4MEN1
SCHEMBL4771806 0.66 ESRRA (0.40) HSP90AA1HSP90AB1CRHR1DPP4DPP8

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-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-7056920-B2 Pyrrolo[1,2-B]pyridazine compounds and their uses PFIZER INC (US) 2006-06-06 — — US disclosed
EP-1613631-A1 PYRROLO 1,2-B PYRIDAZINE COMPOUNDS AND THEIR USES Pharmacia & Upjohn Company LLC (US) 2006-01-11 — — EP disclosed
WO-2004087709-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-14 — — WO disclosed
US-20040204415-A1 Pyrrolo[1,2-B]pyridazine compounds and their uses PFIZER INC 2004-10-14 — — 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-20040204415-A1 Pyrrolo[1,2-B]pyridazine compounds and their uses CRHR1, CRHR2, CRH HSP90AA1 3967/4885HSP90AB1 3639/4885CRHR1 1/4885
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses CRHR1, CRHR2, CRH HSP90AA1 3996/4885HSP90AB1 3541/4885CRHR1 1/4885

“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.