Sugi Predict

Sugi Predict / Compounds / SCHEMBL2872012

SCHEMBL2872012

SCHEMBL2872012

CCc1nc2c(-c3ccc(C)cc3C)cc(C)nn2c1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.39
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ LCK P06239 5/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL2871767 0.86 BRD9 (0.37) BRD9CCNCCDK8MAPK14BRD4
SCHEMBL2864118 0.78 ALPL (0.40) CRHR1
SCHEMBL2869243 0.73 CRHR1 (0.39) CRHR1SMN1; SMN2
SCHEMBL2869204 0.69 CRHR1 (0.43) CRHR1
SCHEMBL2871750 0.65 ALPL (0.40) CRHR1SMN1; SMN2
SCHEMBL8297312 0.64 SMN1; SMN2 (0.63) POLBATMSMN1; SMN2
SCHEMBL2867968 0.63 ALPL (0.36) CRHR1
SCHEMBL17598745 0.62 GSK3B (0.39) BRD9MAPK14LCK
SCHEMBL8428635 0.62 P2RX7 (0.48) BRD9BRD4LCKPOLBGPR139
SCHEMBL4568018 0.62 NLRP3 (0.55) POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772249-B2 Imidazo[1,2-b]pyridazine compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 — — US disclosed
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-16 — — US disclosed
US-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-09-21 — — US disclosed
US-7078405-B2 Imidazo[1,2-b]pyridazine compound EISAI CO., LTD. (JP) 2006-07-18 — — US disclosed
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 — — US disclosed
EP-1364952-A1 BICYCLIC NITROGENOUS FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2003-11-26 — — EP 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 (3 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-20060211696-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH BRD9 1543/4885CCNC 1257/4885CDK8 2812/4885
US-20090181985-A1 IMIDAZO[1,2-b]PYRIDAZINE COMPOUND CRHR1, CRHR2, CRH BRD9 1543/4885CCNC 1257/4885CDK8 2812/4885
US-20040082781-A1 Bicyclic nitrogenous fused-ring compound CRHR1, CRH, CRHR2 BRD9 1034/4885CCNC 1152/4885CDK8 2775/4885

“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.