SCHEMBL5386355

SCHEMBL5386355

Nc1nc2ccccc2n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.54
▸ NOD2 Q9HC29 4/20 0.54
▸ TNF P01375 3/20 0.54
▸ KCNH2 Q12809 1/20 0.51
▸ CXCL8 P10145 3/20 0.49
▸ SOS1 Q07889 1/20 0.49
▸ ALDH3A1 P30838 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ TP53 P04637 2/20 0.40

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
SCHEMBL10563532 0.84 SMN1; SMN2 (0.47) NOD1NOD2TNFKCNH2KMT2A
SCHEMBL10564313 0.73 CRHBP (0.42) NOD1NOD2TNFKMT2AVDR
SCHEMBL10559177 0.73 IDO1 (0.43) NOD1NOD2TNFKMT2ASLC22A12
SCHEMBL30566785 0.71 NOS2 (0.50) NOD1CXCL8KMT2ANOS2HTT
SCHEMBL28972568 0.71 NOS2 (0.50) NOD1CXCL8KMT2ANOS2HTT
SCHEMBL9995087 0.71 NOD1 (0.49) NOD1NOD2TNFCXCL8SOS1
SCHEMBL9994921 0.71 TSHR (0.48) KMT2ANOS2SLC22A12HCAR1HTT
SCHEMBL11383157 0.71 TLR8 (0.41) NOD1NOD2TNFHCAR1HTT
SCHEMBL7167684 0.70 NOS2 (0.53) NOD1NOD2TNFCXCL8SOS1
SCHEMBL19770311 0.70 HCAR1 (0.56) NOD1CXCL8KMT2ANOS2HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7125990-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 — — US disclosed
US-6888004-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 — — US disclosed
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US disclosed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 — — US disclosed
US-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 — — US disclosed
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 — — 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 (5 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-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 NOD1 2883/4885NOD2 2023/4885TNF 538/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 NOD1 2883/4885NOD2 2023/4885TNF 538/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 NOD1 2883/4885NOD2 2023/4885TNF 538/4885
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 NOD1 2883/4885NOD2 2023/4885TNF 538/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 NOD1 2883/4885NOD2 2023/4885TNF 538/4885

“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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