SCHEMBL18712907

SCHEMBL18712907

CCCN1CCC2(CC1)CN(Cc1ccccc1)C2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 2/20 0.56
CYP3A4 P08684 6/20 0.54
TSHR P16473 5/20 0.54
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP1A2 P05177 2/20 0.50

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
SCHEMBL20962696 0.94 CYP2D6 (0.57) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL18389864 0.87 CYP2D6 (0.64) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL18712904 0.85 CYP2D6 (0.66) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL5243003 0.85 CYP2D6 (0.67) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL18389865 0.84 CYP2D6 (0.60) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL14218795 0.84 CYP2D6 (0.60) CYP2D6MEN1KMT2AUSP2CYP3A4
Hydrochloric Acid SCHEMBL9688641 0.83 CYP2D6 (0.59) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL16349557 0.83 CYP2D6 (0.59) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL18389859 0.82 MC4R (0.62) CYP2D6MEN1KMT2AUSP2CYP3A4
SCHEMBL6744977 0.81 SIGMAR1 (0.72) OPRM1

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-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3133/4885MEN1 1015/4885KMT2A 1448/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP2D6 3133/4885MEN1 1015/4885KMT2A 1448/4885

“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.