SCHEMBL243853

SCHEMBL243853

CCn1c(N)cc(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 3/20 0.59
MEN1 O00255 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.51
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 3/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
PDE4A P27815 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL1946240 0.85 KMT2A (0.61) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL1945172 0.82 KMT2A (0.58) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL1713239 0.80 KMT2A (0.56) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL2328939 0.80 ALDH1A1 (0.59) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL1948407 0.79 ALDH1A1 (0.56) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL5421938 0.79 ALDH1A1 (0.54) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL10729879 0.79 ALDH1A1 (0.50) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL1319862 0.79 KMT2A (0.55) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL7179000 0.79 KMT2A (0.55) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL4809763 0.79 KMT2A (0.55) KMT2AALDH1A1CYP3A4MEN1SMN1; 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 EP disclosed
EP-3894409-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 US disclosed
CN-110997675-B Novel substituted xanthine derivatives 勃林格殷格翰国际公司 2022-06-07 CN disclosed
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 EP disclosed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO disclosed
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US disclosed
US-20040176399-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2004-09-09 US disclosed
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 US disclosed
EP-0378850-B1 Substituted pyrido(2,3-d) pyrimidines BAYER AG (DE) 1994-04-06 EP disclosed
US-5145959-A Enzyme inhibitors; antilipemic agents; treatment of atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-5075311-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed
EP-0378850-A2 Substituted pyrido(2,3-d) pyrimidines BAYER AG (DE) 1990-07-25 EP disclosed
CN-1043938-A The pyrido of new replacement [2,3-d] pyrimidines BAYER AG (DE) 1990-07-18 CN disclosed
EP-0065934-A1 Chlorine-containing thermoplastic polymers stabilised with amino uracils CIBA-GEIGY AG (CH) 1982-12-01 EP 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 (6 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 KMT2A 924/4885ALDH1A1 260/4885CYP3A4 830/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 KMT2A 924/4885ALDH1A1 260/4885CYP3A4 830/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 KMT2A 924/4885ALDH1A1 260/4885CYP3A4 830/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 2738/4885ALDH1A1 779/4885CYP3A4 925/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KMT2A 3178/4885ALDH1A1 470/4885CYP3A4 3096/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 KMT2A 4516/4885ALDH1A1 962/4885CYP3A4 630/4885

“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.