SCHEMBL672583

SCHEMBL672583

CC1(C)N=C(N)N=C(N)N1Cc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.56
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TRAP1 Q12931 5/20 0.40
HSP90B1 P14625 3/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL673194 0.90 DHFR (0.56) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL670955 0.77 DHFR (0.67) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL671193 0.75 DHFR (0.59) DHFR
SCHEMBL672359 0.74 DHFR (0.63) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL670848 0.72 DHFR (0.71) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL671049 0.71 DHFR (0.71) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL14974477 0.66 DHFR (0.60) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL8934272 0.65 DHFR (0.58) DHFR
SCHEMBL671863 0.65 DHFR (0.60) DHFR
SCHEMBL26328662 0.65 AKR1B1 (0.37) TRAP1HSP90B1HSP90AA1HSP90AB1

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 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885TP53 1751/4885CYP2D6 3187/4885

“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.