SCHEMBL18087421

SCHEMBL18087421

CCc1ccn(C(F)(F)F)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALPI P09923 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ PTGER3 P43115 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30

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
SCHEMBL26003113 0.83 MGLL (0.36) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL18324218 0.75 GRIA2 (0.36) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL18102199 0.75 KDM4E (0.38) ALDH1A1
SCHEMBL18951893 0.75 PIK3CD (0.40) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL12266192 0.72 MGLL (0.39) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL19465232 0.72 HDAC4 (0.39) NPC1ALDH1A1RAB9AL3MBTL1HDAC4
SCHEMBL23266882 0.68 PTGS2 (0.44) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL14066982 0.68 MGLL (0.36) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL19677418 0.66 PTGS2 (0.41) MGLLMAPTNPC1ALDH1A1LMNA
SCHEMBL23414978 0.65 ALPI (0.46) ALDH1A1LMNAALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 — — US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 — — US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 — — 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-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K MGLL 4265/4885MAPT 480/4885NPC1 3214/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK MGLL 4504/4885MAPT 656/4885NPC1 3348/4885

“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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