SCHEMBL21570550

SCHEMBL21570550

O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)Nc1cc(F)cc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.57
▸ BCR P11274 1/20 0.57
▸ CD38 P28907 3/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CCNT1 O60563 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ HSF1 Q00613 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK10 P53779 1/20 0.42

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
SCHEMBL30559792 0.88 ABL1 (0.57) ABL1BCRKMT2ACYP2D6CYP1A2
SCHEMBL6402301 0.73 ABL1 (1.00) ABL1BCRCCNT1CCNE1CDK2
SCHEMBL14785920 0.70 KMT2A (0.51) CD38KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL13355296 0.69 CD38 (0.49) CD38KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL4912541 0.69 KMT2A (0.61) CD38KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL9521235 0.66 CYP3A4 (0.58) ABL1BCRCYP2D6CYP1A2CYP3A4
SCHEMBL30038452 0.66 CD38 (1.00) CD38
SCHEMBL1891250 0.66 KDR (0.70) —
SCHEMBL27193043 0.64 RAB9A (0.50) KMT2ACYP1A2CYP2C19CYP2C9CDK9
SCHEMBL11539010 0.64 KMT2A (0.67) CD38KMT2ACYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784650-B1 N-PHENYL-N'-(4-{[6-(1H-IMIDAZOL-1-YL)-4-PYRIMIDINYL]AMINO}PHENYL)UREA DERIVATIVES AS MCT4 INHIBITORS FOR THE TREATMENT OF CANCER CHARLES R DREW UNIV OF MEDICINE AND SCIENCE (US) 2023-09-06 — — EP disclosed
CN-112888673-B Novel MCT4 inhibitors and uses thereof 查尔斯德鲁医药科学大学 2022-07-29 — — CN disclosed
CN-112888673-A Novel MCT4 inhibitors and uses thereof 查尔斯德鲁医药科学大学 2021-06-01 — — CN disclosed
US-10919878-B2 MCT4 inhibitors and uses thereof CHARLES R. DREW UNIVERSITY OF MEDICINE AND SCIENCE (US) 2021-02-16 — — US disclosed
US-10919878-B2 MCT4 inhibitors and uses thereof CHARLES R. DREW UNIVERSITY OF MEDICINE AND SCIENCE (US) 2021-02-16 — — US disclosed
WO-2020033019-A2 NOVEL MCT4 INHIBITORS AND USES THEREOF CHARLES R. DREW UNIVERSITY OF MEDICINE AND SCIENCE (US) 2020-02-13 — — WO disclosed
US-20190352282-A1 NOVEL MCT4 INHIBITORS AND USES THEREOF CHARLES R. DREW UNIVERSITY OF MEDICINE AND SCIENCE 2019-11-21 — — US disclosed
US-20190352282-A1 NOVEL MCT4 INHIBITORS AND USES THEREOF CHARLES R. DREW UNIVERSITY OF MEDICINE AND SCIENCE 2019-11-21 — — 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 (2 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-10919878-B2 MCT4 inhibitors and uses thereof SLC16A3, SLC16A1, SLC16A7 ABL1 1659/4885BCR 1706/4885CD38 1364/4885
US-20190352282-A1 NOVEL MCT4 INHIBITORS AND USES THEREOF SLC16A3, SLC16A1, SLC16A8 ABL1 2263/4885BCR 1463/4885CD38 1219/4885

“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