SCHEMBL20673014

SCHEMBL20673014

CCc1ccnc(-n2nccc2NC(=O)c2ccccc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY8 P40145 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ ADCY1 Q08828 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20673050 0.85 ADCY1 (0.65) ADCY8HTR2BADCY1SMN1; SMN2KDM4E
SCHEMBL20673059 0.78 ADCY1 (0.75) ADCY8HTR2BADCY1LMNAPKM
SCHEMBL22275973 0.65 ADCY1 (1.00) ADCY8HTR2BADCY1
SCHEMBL29194943 0.63 RECQL (0.45) KDM4ELMNAGAATP53
SCHEMBL21499998 0.62 TP53 (0.52) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28398332 0.61 KMT2A (0.52) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28397911 0.61 KMT2A (0.52) ADCY8HTR2BADCY1SMN1; SMN2KDM4E
SCHEMBL14636633 0.61 MEN1 (0.69) SMN1; SMN2NPC1RAB9AKDM4EPKM
SCHEMBL30362638 0.61 MEN1 (0.69) SMN1; SMN2NPC1RAB9AKDM4EPKM
SCHEMBL27965017 0.60 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2023-06-06 — — US disclosed
US-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2020-07-30 — — US disclosed
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2020-05-26 — — US disclosed
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-24 — — 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 (4 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-20200239447-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY8 7/4885HTR2B 2025/4885ADCY1 2/4885
US-20190023688-A1 NOVEL SCAFFOLD OF ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, ADCY1, ADCYAP1R1 ADCY8 7/4885HTR2B 2025/4885ADCY1 2/4885
US-11667623-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY8 11/4885HTR2B 1794/4885ADCY1 2/4885
US-10662176-B2 Scaffold of adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, ADCYAP1R1 ADCY8 11/4885HTR2B 1794/4885ADCY1 2/4885

“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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