SCHEMBL671208

SCHEMBL671208

COc1ccc(N2C(N)=NC(N)=NC2(C)C)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPSR1 Q6W5P4 1/20 0.55
DHFR P00374 3/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL671061 0.90 CYP2D6 (0.61) CYP2D6HTTL3MBTL1NPSR1DHFR
SCHEMBL669999 0.82 DHFR (0.58) NPSR1DHFR
SCHEMBL672523 0.81 DHFR (0.57) NPSR1DHFR
SCHEMBL670671 0.79 DHFR (0.49) NPSR1DHFR
SCHEMBL670706 0.78 DHFR (0.53) NPSR1DHFR
SCHEMBL4099193 0.77 NPSR1 (0.63) NPSR1DHFR
SCHEMBL672067 0.77 CYP2D6 (0.67) CYP2D6HTTL3MBTL1DHFRMEN1
SCHEMBL671811 0.77 NPSR1 (0.60) CYP2D6HTTL3MBTL1NPSR1DHFR
SCHEMBL671587 0.76 NPSR1 (0.66) CYP2D6HTTL3MBTL1NPSR1DHFR
SCHEMBL669929 0.74 DHFR (0.73) CYP2D6HTTL3MBTL1DHFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844802-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2023-12-19 US disclosed
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2023-02-09 US disclosed
US-11471461-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2021-04-08 US disclosed
US-10888565-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-01-12 US disclosed
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2020-04-23 US disclosed
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-26 US disclosed
US-9808464-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2017-11-07 US disclosed
EP-3187197-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2017-07-05 EP disclosed
EP-2605804-B1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2017-03-15 EP disclosed
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-09 US disclosed
US-9511071-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-12-06 US disclosed
EP-2605804-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2013-06-26 EP disclosed
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-05-30 US disclosed
WO-2012024489-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-02-23 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 (9 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-10888565-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885HTT 4530/4885L3MBTL1 3222/4885

“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.