SCHEMBL4551624

SCHEMBL4551624

c1ccc(Nc2ncc3nc[nH]c3n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ GAS6 Q14393 1/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ CCND3 P30281 3/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3026520 0.80 CDK2 (0.60) FLT3CDK2MEN1KMT2ANPC1
SCHEMBL8855120 0.78 CDK2 (0.67) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL30850601 0.77 RECQL (0.48) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL6323476 0.76 MEN1 (0.47) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL17822136 0.76 CDK1 (0.34) CDK2ALDH1A1HPGDCDK1
SCHEMBL1133352 0.74 KMT2A (0.48) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL4409376 0.74 KDR (0.48) FLT3TYRO3MERTKGAS6CDK2
SCHEMBL4924089 0.72 KDM4E (0.48) NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL1883319 0.71 KMT2A (0.57) CDK2CCNA2CCND3CCNKCDK9
SCHEMBL1019383 0.71 IP6K1 (0.47) CDK2KMT2AALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 — — US claimed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 — — US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 — — WO disclosed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 — — 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 (1 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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 FLT3 773/4885TYRO3 3248/4885MERTK 1641/4885

“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.

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