SCHEMBL22659037

SCHEMBL22659037

Cn1nccc1NC(=O)c1ccc2cc(-c3ccccc3)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.60
▸ MAPK14 Q16539 3/20 0.47
▸ HTR2C P28335 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ WDR5 P61964 1/20 0.42
▸ WNT1 P04628 3/20 0.41
▸ DYRK1A Q13627 3/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL22659309 0.83 HPGDS (0.63) HPGDSMAPK14LCKMAPK8MAPK10
SCHEMBL22659082 0.82 MAPK14 (0.53) MAPK14HTR2CMCHR1TRPV1
SCHEMBL24571213 0.81 NTRK1 (0.47) HPGDSMAPK14HTR2CMCHR1MMP9
SCHEMBL29406420 0.81 NTRK1 (0.47) HPGDSMAPK14HTR2CMCHR1MMP9
SCHEMBL20759654 0.78 SMN1; SMN2 (0.51) HPGDSHTR2CMCHR1NAMPTMMP9
SCHEMBL396727 0.75 POLB (0.53) HPGDSMAPK14MAPK8MAPK10MEN1
SCHEMBL24571339 0.75 HPGDS (0.46) HPGDSHTR2CWNT1DYRK1AGSK3B
SCHEMBL22659356 0.74 NTRK1 (0.51) RAB9A
SCHEMBL24571216 0.74 KCNT1 (0.46) HPGDSMAPK14
SCHEMBL24571464 0.74 MAPT (0.50) HTR2CMCHR1TRPV1HDAC6RAB9A

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-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — 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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 HPGDS 29/4885MAPK14 2425/4885HTR2C 676/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 HPGDS 29/4885MAPK14 2425/4885HTR2C 676/4885

“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.

Send feedback