SCHEMBL671895

SCHEMBL671895

CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.57
MYC P01106 1/20 0.47
NR4A1 P22736 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12498705 0.80 DHFR (0.52) DHFRLMNA
SCHEMBL671169 0.80 DHFR (0.58) DHFRMEN1NPC1KMT2A
SCHEMBL670828 0.79 DHFR (0.61) DHFRLMNAMEN1NPC1KMT2A
SCHEMBL669999 0.72 DHFR (0.58) DHFRLMNA
Cycloguanil SCHEMBL2700759 0.71 DHFR (0.97) DHFRLMNAMEN1NPC1KMT2A
SCHEMBL4099193 0.70 NPSR1 (0.63) DHFRLMNA
Cycloguanil SCHEMBL1649173 0.70 DHFR (0.94) DHFRLMNA
SCHEMBL670706 0.68 DHFR (0.53) DHFR
SCHEMBL671040 0.68 LMNA (0.62) DHFRLMNA
SCHEMBL672315 0.67 DHFR (0.64) DHFRLMNA

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 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885MYC 947/4885NR4A1 2441/4885

“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.