SCHEMBL12397284

SCHEMBL12397284

CCc1nc(C(C)(C)C)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
PRNP P04156 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
ELANE P08246 2/20 0.40
PKM P14618 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25832927 0.79 KDM4E (0.31) ALDH1A1KDM4ELMNAPRNPNPSR1
SCHEMBL25670600 0.78 LMNA (0.35) ALDH1A1KDM4ELMNAMAPT
SCHEMBL10139179 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAPRNPRXFP1
SCHEMBL10171939 0.76 POLB (0.54) ALDH1A1KDM4ELMNAPRNPNPSR1
SCHEMBL14985883 0.76 GPR3 (0.55) ALDH1A1KDM4ELMNAPRNPNPSR1
SCHEMBL179260 0.76 LMNA (0.49) ALDH1A1KDM4ELMNAPRNPNPSR1
SCHEMBL12142339 0.75 GPR3 (0.54) ALDH1A1KDM4ELMNATSHRHPGD
SCHEMBL12397278 0.75 HCAR2 (0.35) ALDH1A1KDM4ELMNATSHRATM
SCHEMBL24067370 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ELMNANPSR1TSHR
Ammonia Solution, Strong SCHEMBL28418689 0.74 POLB (0.53) ALDH1A1KDM4ELMNAPRNPNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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 (7 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 ALDH1A1 3233/4885KDM4E 3368/4885LMNA 2878/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 ALDH1A1 316/4885KDM4E 923/4885LMNA 4480/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ALDH1A1 316/4885KDM4E 923/4885LMNA 4480/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 ALDH1A1 2351/4885KDM4E 4347/4885LMNA 2858/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 ALDH1A1 4801/4885KDM4E 3971/4885LMNA 3267/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 ALDH1A1 3233/4885KDM4E 3368/4885LMNA 2878/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 ALDH1A1 3233/4885KDM4E 3368/4885LMNA 2878/4885

“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.