SCHEMBL18468356

SCHEMBL18468356

COc1ccc(Cn2nc(C)cc2C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.53
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NPBWR1 P48145 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL16804403 0.86 POLB (0.47) PDE2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1197498 0.83 LMNA (0.68) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL173737 0.80 POLB (0.69) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL18096242 0.80 LMNA (0.49) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL5643904 0.80 GAA (0.49) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL12821489 0.80 LMNA (0.49) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL10150650 0.78 MAPT (0.53) SMN1; SMN2KDM4EALDH1A1MAPTALOX15
SCHEMBL10150643 0.78 LMNA (0.47) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL22632964 0.76 CYP1A2 (0.48) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL10150645 0.75 SMN1; SMN2 (0.51) LMNASMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 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 (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-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PDE2A 877/4885LMNA 2916/4885SMN1; SMN2 1881/4885

“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.