SCHEMBL21786599

SCHEMBL21786599

Cn1cc(-c2ccc(NCc3ccc(Cl)cc3)cn2)c(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
GFER P55789 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL19319900 0.83 RAB9A (0.41) LMNAPOLBRAB9ANPC1GFER
SCHEMBL21786598 0.79 LMNA (0.41) LMNAPOLBBRD4CREBBPCYP1A2
SCHEMBL19319876 0.76 STIM1 (0.44) POLBRAB9ANPC1GFERHDAC4
SCHEMBL21786421 0.75 LMNA (0.41) LMNAPOLBBRD4CREBBPMEN1
SCHEMBL17809689 0.72 CYP2C19 (0.45) BRD4CREBBPCYP1A2CYP2C9CYP2C19
SCHEMBL24136041 0.71 RAB9A (0.40) LMNAPOLBRAB9ANPC1GFER
SCHEMBL21051429 0.71 BRD4 (0.45) LMNAPOLBBRD4CREBBPCYP1A2
SCHEMBL17785580 0.71 BRD4 (0.45) BRD4CREBBPCYP1A2CYP2C9CYP2C19
SCHEMBL17437098 0.70 POLB (0.51) LMNAPOLBBRD4CREBBPTP53
SCHEMBL17806490 0.70 BRD4 (0.42) BRD4CREBBPCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426636-B1 SPECIFIC 2-(4-(PHENOXY)-1H-PYRAZOL-3-YL)PHENOL DERIVATIVES AS INHIBITORS OF C-MYC/DNA BINDING ACTIVITY FOR TREATING CANCER UNIV NORTHWESTERN (US) 2021-12-29 EP disclosed
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 LMNA 3025/4885POLB 2895/4885BRD4 63/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 LMNA 3025/4885POLB 2895/4885BRD4 63/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 LMNA 3025/4885POLB 2895/4885BRD4 63/4885

“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.