SCHEMBL17714082

SCHEMBL17714082

Cn1cc(C(=O)N2CCNCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.53
▸ CCNC P24863 5/20 0.51
▸ CDK8 P49336 5/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ PROKR1 Q8TCW9 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIK3CD O00329 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ RIPK1 Q13546 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
SCHEMBL16150205 0.85 CCNC (0.65) SIGMAR1CCNCCDK8MKNK1MKNK2
SCHEMBL12108484 0.84 PROKR1 (0.57) CCNCCDK8HPGDPROKR1RAB9A
SCHEMBL2386331 0.84 PROKR1 (0.57) CCNCCDK8HPGDPROKR1RAB9A
SCHEMBL18390549 0.83 POLB (0.54) MKNK1MKNK2HPGDPROKR1RAB9A
SCHEMBL17714090 0.81 PROKR1 (0.48) CCNCCDK8PROKR1RAB9ASMN1; SMN2
SCHEMBL29051582 0.80 SMN1; SMN2 (0.50) CCNCCDK8PROKR1RAB9ASMN1; SMN2
SCHEMBL27397141 0.80 PROKR1 (0.47) CCNCCDK8MKNK1MKNK2PROKR1
SCHEMBL9104445 0.80 SMN1; SMN2 (0.53) CCNCCDK8HPGDPROKR1RAB9A
SCHEMBL25848891 0.79 ACHE (0.57) HPGDPROKR1RAB9ASMN1; SMN2
SCHEMBL18705999 0.78 SIGMAR1 (0.47) SIGMAR1CCNCCDK8MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 — — US disclosed
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 — — EP disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 — — US disclosed
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC 2020-07-16 — — US disclosed
EP-3212638-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 — — EP disclosed
US-20180305344-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY 2018-10-25 — — US disclosed
EP-3380469-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2018-10-03 — — EP disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 — — US disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 — — US disclosed
EP-3212638-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-09-06 — — EP disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 — — US disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 — — US disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 — — WO disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 — — WO disclosed
WO-2016066662-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 — — WO disclosed
WO-2016066662-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 — — 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 (5 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-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS RECQL, NDUFS5, NDUFS7 SIGMAR1 433/4885CCNC 636/4885CDK8 791/4885
US-20180305344-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRD3, BRDT SIGMAR1 4064/4885CCNC 587/4885CDK8 141/4885
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 SIGMAR1 3946/4885CCNC 1201/4885CDK8 201/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 SIGMAR1 4011/4885CCNC 2568/4885CDK8 1863/4885
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF BRDT, BRD4, BRD3 SIGMAR1 3946/4885CCNC 1201/4885CDK8 201/4885

“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