SCHEMBL17276749

SCHEMBL17276749

COc1cccc(N2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.53
▸ TSHR P16473 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP2C9 P11712 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ CCR1 P32246 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CACNA1G O43497 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL17276372 0.88 AKR1C3 (0.55) LMNATSHRHSD17B10SMN1; SMN2GAA
SCHEMBL17276867 0.87 NPSR1 (0.50) LMNATSHRGAACYP2C9ALDH1A1
SCHEMBL17276516 0.86 POLB (0.53) LMNATSHRSMN1; SMN2GAAALDH1A1
SCHEMBL17276434 0.85 POLB (0.58) LMNATSHRSMN1; SMN2ALDH1A1POLB
SCHEMBL17276600 0.84 FAAH (0.56) LMNATSHRSMN1; SMN2GAACYP2C9
SCHEMBL17276364 0.83 AKR1C3 (0.56) LMNATSHRCYP2C9ALDH1A1POLB
SCHEMBL17276605 0.83 FAAH (0.54) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL19078722 0.83 POLB (0.47) LMNATSHRSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL27739890 0.79 KMT2A (0.65) LMNATSHRGAACYP2C9ALDH1A1
SCHEMBL17276443 0.79 AKR1C3 (0.52) LMNASMN1; SMN2CYP2C9CCR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — 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 (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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 LMNA 4598/4885TSHR 4282/4885HSD17B10 1188/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 LMNA 4598/4885TSHR 4282/4885HSD17B10 1188/4885

“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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