SCHEMBL3117426

SCHEMBL3117426

Cc1cc(=O)n(-c2ccc(NC(=O)c3cccc(N(C)C)c3)cn2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 1/20 0.60
▸ BRAF P15056 2/20 0.49
▸ CSF1R P07333 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ MAPK14 Q16539 7/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3116048 0.89 P4HTM (0.54) ORAI1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3116564 0.86 PTPN1 (0.50) ORAI1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3117708 0.86 KCNQ3 (0.56) BRAFMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14609473 0.86 ULK1 (0.47) ORAI1MAPTBTKALDH1A1KDM4E
SCHEMBL3117351 0.83 BRAF (0.50) BRAFMAPTKDM4E
SCHEMBL3120279 0.82 RAB9A (0.57) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3109283 0.81 PTPN1 (0.51) MAPTRAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL3117290 0.79 TRPV1 (0.47) MAPTRAB9ASMN1; SMN2CYP1A2HDAC6
SCHEMBL3117348 0.78 SMN1; SMN2 (0.58) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3107074 0.78 CYP11B1 (0.46) MAPTRAB9ACYP1A2NPC1MEN1

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-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
CN-101291923-A Pyrazolone derivatives for the treatment of tuberculosis ASTRAZENECA AB (SE) 2008-10-22 — — CN disclosed
EP-1919890-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-05-14 — — EP disclosed
WO-2007020426-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2007-02-22 — — 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-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS TREH, TYMP, EPX ORAI1 4667/4885BRAF 1900/4885CSF1R 2542/4885

“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.

Send feedback